SCHEMBL42279

SCHEMBL42279

N[C@@H]1CCc2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.55
ANPEP P15144 3/20 0.53
PDPK1 O15530 1/20 0.50
PLAU P00749 1/20 0.50

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
SCHEMBL29395342 1.00 IDO1 (0.55) IDO1ANPEPPDPK1PLAU
SCHEMBL42780 1.00 IDO1 (0.55) IDO1ANPEPPDPK1PLAU
SCHEMBL6600 1.00 IDO1 (0.55) IDO1ANPEPPDPK1PLAU
SCHEMBL28840240 1.00 IDO1 (0.55) IDO1ANPEPPDPK1PLAU
SCHEMBL29858363 1.00 IDO1 (0.55) IDO1ANPEPPDPK1PLAU
SCHEMBL12787610 1.00 IDO1 (0.55) IDO1ANPEPPDPK1PLAU
Hydrochloric Acid SCHEMBL1948638 0.98 IDO1 (0.57) IDO1ANPEPPDPK1
Hydrochloric Acid SCHEMBL29676818 0.98 IDO1 (0.57) IDO1ANPEPPDPK1
Hydrochloric Acid SCHEMBL29397932 0.98 IDO1 (0.57) IDO1ANPEPPDPK1
Hydrochloric Acid SCHEMBL2033301 0.98 IDO1 (0.57) IDO1ANPEPPDPK1

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 1041 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112280761-B Recombinant transaminase, mutant of recombinant transaminase and application of mutant 清华大学 2022-04-12 CN claimed
CN-113030283-A Rasagiline genotoxic impurity compound and preparation method and application thereof 上海奥博生物医药技术有限公司 2021-06-25 CN claimed
CN-109180499-B Preparation method of rasagiline mesylate and intermediate thereof 上海博志研新药物技术有限公司 2021-04-30 CN claimed
CN-112280761-A Recombinant transaminase, mutant of recombinant transaminase and application of mutant 清华大学 2021-01-29 CN claimed
CN-111333517-A Improved method for preparing rasagiline 上海奥博生物医药技术有限公司 2020-06-26 CN claimed
US-10611775-B2 Thiophene derivatives TIANJIN HEMAY PHARMACEUTICAL CO., LTD. (CN) 2020-04-07 US claimed
US-20190322684-A1 THIOPHENE DERIVATIVES TIANJIN HEMAY PHARMACEUTICAL CO., LTD. (CN) 2019-10-24 US claimed
US-10385062-B2 Thiophene derivatives TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2019-08-20 US claimed
CN-109180499-A The preparation method of rasagiline mesilate and its intermediate 上海博志研新药物技术有限公司 2019-01-11 CN claimed
US-20180099936-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-04-12 US claimed
US-7109377-B2 Synthesis of combinatorial libraries of compounds reminiscent of natural products PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-09-19 US claimed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP claimed
US-20030082830-A1 Synthesis of combinatorial libraries of compounds reminiscent of natural products NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-01 US claimed
US-6448443-B1 GENERATED FROM DIVERSIFIABLE SCAFFOLDS SYNTHESIZED FROM THE PYRIDINE-BASED TEMPLATE ISONICOTINAMIDE; ALSO PROVIDES A NOVEL ORTHO-NITROBENZYL PHOTOLINKER; SYNTHESIZED FROM A SHIKIMIC ACID BASED EPOXYOL TEMPLATE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-09-10 US claimed
US-20020068839-A1 COMPOSITIONS CONTAINING AND METHODS OF USING 1-AMINOINDAN AND DERIVATIVES THEREOF AND PROCESS FOR PREPARING OPTICALLY ACTIVE 1-AMINOINDAN DERIVATIVES COHEN SASSON (IL) 2002-06-06 US claimed
US-5994408-A THERAPY FOR PARKINSON'S DISEASE; ANTICONVULSANT TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-11-30 US claimed
EP-0738149-A4 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMA (IL) 1999-10-27 EP claimed
US-5639913-A TREATMENT OF PARKINSON'S DISEASE, DEMENTIA, EPILEPSY TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1997-06-17 US claimed
EP-0738149-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-10-23 EP claimed
WO-1995018617-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1995-07-13 WO claimed

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

For each of this compound's patents that has machine-readable text (6 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-10385062-B2 Thiophene derivatives TSHR, RB1, TAS2R7 IDO1 2676/4885ANPEP 3462/4885PDPK1 3410/4885
US-10611775-B2 Thiophene derivatives TSHR, RB1, TAS2R7 IDO1 2676/4885ANPEP 3462/4885PDPK1 3410/4885
US-20180099936-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE3A, PDE5A, PDE3B IDO1 291/4885ANPEP 2538/4885PDPK1 2833/4885
US-20020068839-A1 COMPOSITIONS CONTAINING AND METHODS OF USING 1-AMINOINDAN AND DERIVATIVES THEREOF AND PROCESS FOR PREPARING OPTICALLY ACTIVE 1-AMINOINDAN DERIVATIVES PARK7, GAP43, PSEN1 IDO1 82/4885ANPEP 503/4885PDPK1 1131/4885
US-20190322684-A1 THIOPHENE DERIVATIVES TSHR, RB1, TAS2R7 IDO1 2676/4885ANPEP 3462/4885PDPK1 3410/4885
US-20030082830-A1 Synthesis of combinatorial libraries of compounds reminiscent of natural products TKFC, NISCH, PTGIS IDO1 47/4885ANPEP 1026/4885PDPK1 2005/4885

“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.