SCHEMBL4172495

SCHEMBL4172495

CCCN1CCC(C(=O)OCC)CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
LMNA P02545 2/20 0.56
ALDH1A1 P00352 7/20 0.55
KDM4E B2RXH2 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KCNH2 Q12809 2/20 0.52
LTA4H P09960 1/20 0.52

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
Hydrochloric Acid SCHEMBL5071255 0.98 MAPT (0.57) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL15569388 0.93 MAPT (0.62) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL6950591 0.90 MAPT (0.55) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL15956633 0.88 MAPT (0.57) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL6973109 0.87 KCNH2 (0.55) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL22301206 0.87 KCNH2 (0.55) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL1440000 0.86 MAPT (0.55) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL853489 0.86 MAPT (0.55) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL30924929 0.86 MAPT (0.55) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL30414662 0.86 MAPT (0.55) MAPTLMNAALDH1A1KDM4ESMN1; SMN2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021112461-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE AGENT 주식회사 엘지화학 2021-06-10 WO disclosed
US-10023535-B2 Method for the preparation of 1-(2-halogen-ethyl)-4 piperidine-carboxylic acid ethyl esters OLON S.P.A. (IT) 2018-07-17 US disclosed
US-20170313657-A1 METHOD FOR THE PREPARATION OF 1-(2-HALOGEN-ETHYL)-4 PIPERIDINE-CARBOXYLIC ACID ETHYL ESTERS OLON S.P.A. (IT) 2017-11-02 US disclosed
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-08-25 US disclosed
EP-1882684-B1 PYRROLIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-12-10 EP disclosed
US-8455535-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-7642245-B2 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif OSCIENT PHARMACEUTICALS CORPORATION (US) 2010-01-05 US disclosed
US-7585886-B2 Pyrrolidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
US-20090182142-A1 Aromatic Compound FURUKUBO SHIGERU 2009-07-16 US disclosed
US-20090093474-A1 THIAZOLYL-DIHYDRO-INDAZOLE GRAUERT MATTHIAS 2009-04-09 US disclosed
US-20090062366-A1 Pyrrolidine derivative or salt thereof ASTELLAS PHARAMA INC. (JP) 2009-03-05 US disclosed
WO-2007115933-A1 THIAZOLYLDIHYDROINDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed
US-20070238718-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
US-20070238718-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
US-20070238718-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
EP-0874809-B1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 EP disclosed
US-6239175-B1 Carbamoyloxy derivatives of mutiline and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-29 US disclosed
US-6020368-A MICROBIOCIDES HINKS JEREMY DAVID (US) 2000-02-01 US disclosed
EP-0874809-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1998-11-04 EP disclosed
WO-1997025309-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1997-07-17 WO 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 (7 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-10023535-B2 Method for the preparation of 1-(2-halogen-ethyl)-4 piperidine-carboxylic acid ethyl esters UMPS, UCK2, EFTUD2 MAPT 3599/4885LMNA 2211/4885ALDH1A1 195/4885
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS NQO1, TXN2, MPO MAPT 2660/4885LMNA 2408/4885ALDH1A1 1589/4885
US-20090062366-A1 Pyrrolidine derivative or salt thereof CASR, CYP2R1, PTH1R MAPT 4566/4885LMNA 4308/4885ALDH1A1 2179/4885
US-20090093474-A1 THIAZOLYL-DIHYDRO-INDAZOLE CYP3A43, CYP3A5, UGT1A3 MAPT 37/4885LMNA 3583/4885ALDH1A1 162/4885
US-20090182142-A1 Aromatic Compound HRH4, CCR4, HRH3 MAPT 3597/4885LMNA 4719/4885ALDH1A1 1906/4885
US-20170313657-A1 METHOD FOR THE PREPARATION OF 1-(2-HALOGEN-ETHYL)-4 PIPERIDINE-CARBOXYLIC ACID ETHYL ESTERS UMPS, UCK2, EFTUD2 MAPT 3599/4885LMNA 2211/4885ALDH1A1 195/4885
US-20070238718-A1 THIAZOLYL-DIHYDRO-INDAZOLE CYP3A43, CYP3A5, UGT1A3 MAPT 37/4885LMNA 3583/4885ALDH1A1 162/4885

“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.