SCHEMBL351761

SCHEMBL351761

C=CCOC(=O)[C@@H]1CCCN1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.36
DPP8 Q6V1X1 2/20 0.36
DPP9 Q86TI2 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
FAP Q12884 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
NOS2 P35228 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
PRCP P42785 2/20 0.36
ELANE P08246 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR2C P28335 2/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTR2B P41595 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL707799 1.00 DPP4 (0.36) DPP4DPP8DPP9DPP7FAP
SCHEMBL6578863 1.00 DPP4 (0.36) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL10615023 0.98 DPP4 (0.36) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL10615017 0.98 DPP4 (0.36) DPP4DPP8DPP9DPP7FAP
SCHEMBL15886548 0.95 ALDH1A1 (0.38) DPP4DPP8DPP9DPP7FAP
SCHEMBL8521036 0.95 ALDH1A1 (0.38) DPP4DPP8DPP9DPP7FAP
SCHEMBL13278810 0.91 ALDH1A1 (0.36) DPP4ALDH1A1GAACYP3A4POLB
SCHEMBL8726681 0.87 ALDH1A1 (0.33) DPP4DPP8DPP9DPP7FAP
SCHEMBL30713421 0.84 ALDH1A1 (0.42) DPP4ALDH1A1GAANOS2NOS3
SCHEMBL21696620 0.83 DPP4 (0.35) DPP4DPP8DPP9DPP7FAP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 96 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118267309-A Essence composition containing chamomile extract and preparation method thereof 广州中科医疗美容仪器有限公司 2024-07-02 CN claimed
CN-114560887-A Preparation method of intermediate for preparing orlistat 安徽美致诚药业有限公司 2022-05-31 CN claimed
CN-112174870-A Preparation method and medicinal application of (R) -1-alkanoyl-2-substituted pyrrolidine-2-formamide 蔡霈 2021-01-05 CN claimed
US-10329341-B2 Collagen mimics WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-25 US claimed
US-20180030115-A1 COLLAGEN MIMICS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-02-01 US claimed
US-9758569-B2 Collagen mimics WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2017-09-12 US claimed
EP-3110795-A1 NOVEL ECONOMIC PROCESS FOR VILDAGLIPTIN Hikal Limited (IN) 2017-01-04 EP claimed
WO-2015128718-A1 NOVEL ECONOMIC PROCESS FOR VILDAGLIPTIN HIKAL LIMITED (IN) 2015-09-03 WO claimed
EP-1496891-B1 METHODS FOR MODULATING PHOTOTOXICITY UNIV ARIZONA STATE (US) 2011-07-20 EP claimed
US-20100016545-A1 PROCESS FOR THE COVALENT COUPLING OF TWO MOLECULES BY MEANS OF A DIELS-ALDER REACTION WITH INVERSE ELECTRON REQUIREMENT DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) 2010-01-21 US claimed
WO-2007139914-A2 COLLAGEN MIMICS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-12-06 WO claimed
US-20070275897-A1 Collagen mimics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-29 US claimed
US-6992071-B2 Methods for modulating phototoxicity BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2006-01-31 US claimed
EP-1496891-A2 METHODS FOR MODULATING PHOTOTOXICITY University Of Arizona (US) 2005-01-19 EP claimed
US-20030223941-A1 Methods for modulating phototoxicity NIADYNE, INC. 2003-12-04 US claimed
WO-2003088909-A2 METHODS FOR MODULATING PHOTOTOXICITY UNIVERSITY OF ARIZONA (US) 2003-10-30 WO claimed
EP-0372484-B1 Condensed benzene derivative ZERIA PHARM CO LTD (JP) 1994-10-26 EP claimed
EP-0010347-B1 NOVEL SUBSTITUTED OMEGA-AROYL(PROPIONYL OR BUTYRYL)-L-PROLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION AMERICAN CYANAMID COMPANY (US) 1983-11-09 EP claimed
EP-0010347-A1 Novel substituted omega-aroyl(propionyl or butyryl)-L-prolines, pharmaceutical compositions containing them and processes for their preparation AMERICAN CYANAMID COMPANY (US) 1980-04-30 EP claimed
JP-63033361-A None JP disclosed
CN-112469306-B Composition, artificial nail composition, nail decorating material, artificial nail, storage container, image forming apparatus, and image forming method 株式会社理光 2024-07-05 CN disclosed
CN-118267309-A Essence composition containing chamomile extract and preparation method thereof 广州中科医疗美容仪器有限公司 2024-07-02 CN disclosed
CN-118267309-A Essence composition containing chamomile extract and preparation method thereof 广州中科医疗美容仪器有限公司 2024-07-02 CN disclosed
CN-114560887-B Preparation method of orlistat intermediate 安徽美致诚药业有限公司 2024-01-26 CN disclosed
WO-2023217590-A1 POLYAMIDE MICROCAPSULES FIRMENICH SA (CH) 2023-11-16 WO disclosed
WO-2023190156-A1 HETEROCYCLE-CONTAINING AMINO ACID COMPOUND AND COMPLEX 愛知製鋼株式会社 2023-10-05 WO disclosed
US-20230159622-A1 COLLAGEN MIMICS WISCONSIN ALUMNI RESEARCH FOUNDATION 2023-05-25 US disclosed
US-11390662-B2 Collagen mimics WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2022-07-19 US disclosed
WO-2022138891-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND CONTAINING N-SUBSTITUTED-AMINO ACID RESIDUE 中外製薬株式会社 2022-06-30 WO disclosed
CN-114560887-A Preparation method of intermediate for preparing orlistat 安徽美致诚药业有限公司 2022-05-31 CN disclosed
EP-2922535-B1 THROMBIN INHIBITORS MERCK SHARP & DOHME (US) 2021-11-10 EP disclosed
CN-110432469-A A kind of drying production method and production line of shell class fruit LUZHOU DENGSHI NATIVE PRODUCT CO LTD 2019-11-12 CN disclosed
CN-110381926-A Novel dosage forms 德维科制药瑞士公司 2019-10-25 CN disclosed
US-10329341-B2 Collagen mimics WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-25 US disclosed
CN-109280116-A Constituent, solidfied material, image forming apparatus and image forming method 株式会社理光 2019-01-29 CN disclosed
US-20180030115-A1 COLLAGEN MIMICS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-02-01 US disclosed
US-9758569-B2 Collagen mimics WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2017-09-12 US disclosed
US-9469608-B2 Thrombin inhibitors MERCK SHARP & DOHME CORP. (US) 2016-10-18 US disclosed
EP-1664050-B1 NEUROPROTECTIVE BICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NEUREN PHARMACEUTICALS LTD (NZ) 2015-12-09 EP disclosed
US-20150315141-A1 Thrombin Inhibitors MERCK SHARP & DOHME CORP. (US) 2015-11-05 US disclosed
CN-102405211-B Proline derivatives as cathepsin inhibitors HOFFMANN LA ROCHE 2015-01-21 CN disclosed
EP-2666774-B1 Beta-lactamase Inhibitors MERCK SHARP & DOHME (US) 2015-01-07 EP disclosed
WO-2014025658-A1 PYRROLIDINE THROMBIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-02-13 WO disclosed
US-8618152-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-31 US disclosed
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-8552183-B2 Process for the covalent coupling of two molecules by means of a diels-alder reaction with inverse electron requirement DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) 2013-10-08 US disclosed
US-8519127-B2 Cyclic glycyl-2-allyl proline and its use in treatment of peripheral neuropathy NEUREN PHARMACEUTICALS LIMITED (AU) 2013-08-27 US disclosed
CN-102958517-A Formulations and delivery LONDONPHARMA LTD 2013-03-06 CN disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-1636208-B1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMA (US) 2012-02-29 EP disclosed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
US-20120014914-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-19 US disclosed
US-8067425-B2 Neuroprotective bicyclic compounds and methods for their use NEUREN PHARMACEUTICALS LIMITED (NZ) 2011-11-29 US disclosed
EP-1496891-B1 METHODS FOR MODULATING PHOTOTOXICITY UNIV ARIZONA STATE (US) 2011-07-20 EP disclosed
EP-2332935-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-15 EP disclosed
US-20110052531-A1 CYCLIC GLYCYL-2-ALLYL PROLINE AND ITS USE IN TREATMENT OF PERIPHERAL NEUROPATHY NEUREN PHARMACEUTICALS LIMITED (AU) 2011-03-03 US disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 US disclosed
US-20100016545-A1 PROCESS FOR THE COVALENT COUPLING OF TWO MOLECULES BY MEANS OF A DIELS-ALDER REACTION WITH INVERSE ELECTRON REQUIREMENT DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) 2010-01-21 US disclosed
WO-2009091856-A2 BETA-LACTAMASE INHIBITORS MERCK & CO., INC. (US) 2009-07-23 WO disclosed
US-20090022688-A1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-01-22 US disclosed
WO-2007139914-A2 COLLAGEN MIMICS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-12-06 WO disclosed
US-20070275897-A1 Collagen mimics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-29 US disclosed
US-7271192-B2 Substituted 2-pyrrolidine-2-yl-1H-indole compounds GRUENENTHAL GMBH (DE) 2007-09-18 US disclosed
US-20070197511-A1 Neuroprotective bicyclic compouds and methods for their use NEUREN PHARMACEUTICALS LIMITED (NZ) 2007-08-23 US disclosed
EP-1077218-B1 Peptido-mimetic compounds containing RGD sequence useful as integrin inhibitors SIGMA TAU IND FARMACEUTI (IT) 2007-05-16 EP disclosed
EP-1664050-A2 NEUROPROTECTIVE BICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Neuren Pharmaceuticals Limited (NZ) 2006-06-07 EP disclosed
EP-1636208-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE Vertex Pharmaceuticals Incorporated (US) 2006-03-22 EP disclosed
WO-2005077969-A2 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-08-25 WO disclosed
US-20050090450-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS, INCORPORATED 2005-04-28 US disclosed
WO-2005023815-A2 NEUROPROTECTIVE BICYCLIC COMPOUNDS AND METHODS FOR THEIR USE NEUREN PHARMACEUTICALS LIMITED (NZ) 2005-03-17 WO disclosed
US-20050014815-A1 Substituted 2-pyrrolidine-2-yl-1H-indole compounds GRUENENTHAL GMBH (DE) 2005-01-20 US disclosed
WO-2004092162-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS, INCORPORATED (US) 2004-10-28 WO disclosed
EP-1090960-B1 TWO-PACK TYPE CURABLE COMPOSITION AND HARDENER THEREFOR KANEKA CORP (JP) 2004-06-02 EP disclosed
US-6451972-B1 Peptido-mimetic compounds containing RGD sequence useful as integrin inhibitors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2002-09-17 US disclosed
US-6437094-B2 FOR TREATING PATHOLOGIES RELATED TO ALTERED ALPHA V BETA 3 INTEGRIN-MEDIATED CELL ATTACHMENT, IN PARTICULAR WHEREIN INHIBITION OF ANGIOGENESIS IS DESIRED, FOR EXAMPLE IN TUMORS, ALSO ASSOCIATED WITH METASTASIS SIGMA-TSU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2002-08-20 US disclosed
US-20020068695-A1 Peptido-mimetic compounds containing RGD sequence useful as integrin inhibitors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2002-06-06 US disclosed
US-6235877-B1 ANGIOGENESIS INHIBITOR; ANTITUMOR AGENT SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2001-05-22 US disclosed
US-20010001309-A1 Peptido-mimetic compounds containing RGD sequence useful as integrin inhibitors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. 2001-05-17 US disclosed
EP-1090960-A1 TWO-PACK TYPE CURABLE COMPOSITION AND HARDENER THEREFOR Kaneka Corporation (JP) 2001-04-11 EP disclosed
EP-1077218-A2 Peptido-mimetic compounds containing RGD sequence useful as integrin inhibitors Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2001-02-21 EP disclosed
US-6168912-B1 CONVERTING IN PARALLEL, A SET OF AT LEAST TWO DIFFERENT ALPHA-ALLYL CARBONYL MONOMERS OF DEFINED STRUCTURE, THEN OLIGOMERIZING THROUGH A HETEROATOM MARTEK BIOSCIENCES CORPORATION 2001-01-02 US disclosed
US-5783709-A Stereoselective process for making substituted amino acid derivatives MERCK & CO., INC. (US) 1998-07-21 US disclosed
US-5783709-A Stereoselective process for making substituted amino acid derivatives MERCK & CO., INC. (US) 1998-07-21 US disclosed
EP-0372484-B1 Condensed benzene derivative ZERIA PHARM CO LTD (JP) 1994-10-26 EP disclosed
CN-1072337-A SKIN CARE CREAM DAILY CHEMICAL PLANT SUZHOU RU (CN) 1993-05-26 CN disclosed
US-5028604-A Cognition Activators ZERIA PHARMACEUTICAL CO., LTD. (JP) 1991-07-02 US disclosed
US-4992541-A Antiinflammatory, antidegenerative agents MERCK & CO., INC. (US) 1991-02-12 US disclosed
EP-0411929-A1 A process for the preparation of 1,1-dioxo-7-substituted cephems MERCK & CO. INC. (US) 1991-02-06 EP disclosed
EP-0372484-A2 Condensed benzene derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 1990-06-13 EP disclosed
JP-S6333361-A DIPEPTIDE DERIVATIVE, ITS PRODUCTION AND USE THEREOF SUNTORY LTD 1988-02-13 JP disclosed
US-4668397-A CYCLODIMERIZATION, TETRAPEPTIDES AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) 1987-05-26 US disclosed
US-4325943-A HYPOTENSIVE AGENTS, DIURETICS E. R. SQUIBB & SONS, INC. (US) 1982-04-20 US disclosed
US-4325945-A Mixed disulfides E. R. SQUIBB & SONS, INC. (US) 1982-04-20 US disclosed
US-4325944-A HYPOTENSIVE AGENTS, DIURETICS E. R. SQUIBB & SONS, INC. (US) 1982-04-20 US disclosed
US-4284624-A HYPOTENSIVE PEPTIDES E. R. SQUIBB & SONS, INC. (US) 1981-08-18 US disclosed
US-4284624-A HYPOTENSIVE PEPTIDES E. R. SQUIBB & SONS, INC. (US) 1981-08-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110052531-A1 CYCLIC GLYCYL-2-ALLYL PROLINE AND ITS USE IN TREATMENT OF PERIPHERAL NEUROPATHY PMP22, IAPP, GCG DPP4 996/4885DPP8 1659/4885DPP9 1891/4885
US-20120014914-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASES PRSS1, SERPINB1, SPINT2 DPP4 14/4885DPP8 58/4885DPP9 68/4885
US-20050090450-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease PRSS1, SERPINB1, SPINT2 DPP4 14/4885DPP8 55/4885DPP9 66/4885
US-20050014815-A1 Substituted 2-pyrrolidine-2-yl-1H-indole compounds IDO1, IDO2, TPH2 DPP4 1407/4885DPP8 2738/4885DPP9 2391/4885
US-20150315141-A1 Thrombin Inhibitors F3, F2, F9 DPP4 2254/4885DPP8 815/4885DPP9 644/4885
US-20010001309-A1 Peptido-mimetic compounds containing RGD sequence useful as integrin inhibitors VCAM1, ITGB1, ITGB3 DPP4 2959/4885DPP8 3313/4885DPP9 1745/4885
US-20100016545-A1 PROCESS FOR THE COVALENT COUPLING OF TWO MOLECULES BY MEANS OF A DIELS-ALDER REACTION WITH INVERSE ELECTRON REQUIREMENT CX3CR1, NR3C2, NR4A2 DPP4 3002/4885DPP8 4177/4885DPP9 4854/4885
US-20020068695-A1 Peptido-mimetic compounds containing RGD sequence useful as integrin inhibitors VCAM1, ITGB1, ITGB3 DPP4 2959/4885DPP8 3313/4885DPP9 1745/4885
US-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 DPP4 413/4885DPP8 791/4885DPP9 756/4885
US-20070197511-A1 Neuroprotective bicyclic compouds and methods for their use NLN, GAP43, BAD DPP4 2301/4885DPP8 2587/4885DPP9 4370/4885
US-20090022688-A1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 DPP4 13/4885DPP8 53/4885DPP9 61/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.