SCHEMBL643577

SCHEMBL643577

NC(=O)C1CCc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.58
IDO1 P14902 2/20 0.47
KCNQ2 O43526 1/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
SIRT1 Q96EB6 1/20 0.44
PDPK1 O15530 1/20 0.43
CRBN Q96SW2 1/20 0.43
ACP3 P15309 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43

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
SCHEMBL2475968 1.00 PIN1 (0.58) PIN1IDO1KCNQ2CA1CA2
SCHEMBL176930 1.00 PIN1 (0.58) PIN1IDO1KCNQ2CA1CA2
SCHEMBL29528570 1.00 PIN1 (0.58) PIN1IDO1KCNQ2CA1CA2
SCHEMBL30252198 0.89 IDO1 (0.50) PIN1IDO1SIRT1CRBN
SCHEMBL5732694 0.89 IDO1 (0.50) PIN1IDO1SIRT1CRBN
SCHEMBL177082 0.89 IDO1 (0.50) PIN1IDO1SIRT1CRBN
SCHEMBL29934643 0.89 IDO1 (0.50) PIN1IDO1SIRT1CRBN
SCHEMBL3812210 0.89 IDO1 (0.50) PIN1IDO1SIRT1CRBN
Pyridine SCHEMBL19209999 0.89 PIN1 (0.49) PIN1IDO1KCNQ2TRPM8
SCHEMBL5848583 0.87 PIN1 (0.46) PIN1IDO1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4301736-B1 MACROCYCLIC COMPOUNDS AS PROTEASOME SUBUNIT BETA TYPE-5 INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2025-10-08 EP claimed
US-20240415819-A1 MACROCYCLIC COMPOUNDS AS PROTEASOME SUBUNIT BETA TYPE-5 INHIBITORS QLi5 Therapeutics AG (DE) 2024-12-19 US claimed
EP-4155296-A1 MACROCYCLIC COMPOUNDS AS PROTEASOME SUBUNIT BETA TYPE-5 INHIBITORS Lead Discovery Center GmbH (DE) 2023-03-29 EP claimed
CN-115466209-A Synthesis method of ropinirole cyclopentanoindolone impurity 南通大学 2022-12-13 CN claimed
CN-108777958-B Process for converting the S-enantiomer into its racemic form FMC有限公司 2021-03-12 CN claimed
EP-3363788-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2018-08-22 EP claimed
CN-106795115-A Difluoromethyl nicotine indanyl formamide 拜耳作物科学股份公司 2017-05-31 CN claimed
CN-104768934-A Pyrazole indanyl carboxamides BAYER CROPSCIENCE AG G 2015-07-08 CN claimed
CN-103018349-B Hydrindene amide compound detection analysis method BEIJING MEDCONXIN PHARMACEUTICAL TECHNOLOGY CO LTD 2015-04-08 CN claimed
CN-104411689-A Pyrazole indanyl carboxamides BAYER CROPSCIENCE AG 2015-03-11 CN claimed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
EP-1517708-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2005-03-30 EP claimed
US-20040006135-A1 Combination treatment for depression and anxiety PFIZER INC. 2004-01-08 US claimed
WO-2004000355-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-12-31 WO claimed
EP-1294707-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-03-26 EP claimed
WO-2001098290-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 WO claimed
EP-1027350-A1 AMINOMETHYL-BENZO A]QUINOLIZIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATIONS FOR NEURODEGENRATIVE DISEASES PIERRE FABRE MEDICAMENT (FR) 2000-08-16 EP claimed
WO-1999021856-A1 AMINOMETHYL-BENZO[A]QUINOLIZIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATIONS FOR NEURODEGENRATIVE DISEASES PIERRE FABRE MEDICAMENT (FR) 1999-05-06 WO claimed
US-4308380-A 2-Lower alkyl-2 or 3-cephem-4-carboxylic acid derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-29 US 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 (3 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-20040006135-A1 Combination treatment for depression and anxiety TACR1, NPSR1, HTR3A PIN1 3632/4885IDO1 625/4885KCNQ2 296/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL PIN1 3761/4885IDO1 3841/4885KCNQ2 1876/4885
US-20240415819-A1 MACROCYCLIC COMPOUNDS AS PROTEASOME SUBUNIT BETA TYPE-5 INHIBITORS PSMB5, PSMA5, PSMB1 PIN1 950/4885IDO1 2208/4885KCNQ2 3340/4885

“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.