SCHEMBL316199

SCHEMBL316199

[CH2]COc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.47
APP P05067 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AOC2 O75106 1/20 0.42
DAO P14920 1/20 0.42
MAOA P21397 1/20 0.42
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
NR4A2 P43354 1/20 0.41

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
SCHEMBL4707838 0.86 NQO1 (0.47) MAOBAPPCYP1A2CYP2C19TDP1
SCHEMBL74431 0.80 CYP1A2 (0.50) MAOBAPPCYP1A2CYP2D6CYP2C19
SCHEMBL1048417 0.78 DRD2 (0.50) CYP1A2CYP2D6CYP2C19TDP1L3MBTL1
SCHEMBL9713863 0.78 FFAR4 (0.38)
SCHEMBL9114592 0.78 CYP1A2 (0.63) MAOBAPPCYP1A2CYP2D6CYP2C19
SCHEMBL11868582 0.78 MAOB (0.50) MAOBAPPCYP1A2CYP2D6CYP2C19
SCHEMBL1047301 0.77 MEN1 (0.51) CYP1A2CYP2D6CYP2C19TDP1L3MBTL1
SCHEMBL10338308 0.76 MEN1 (0.60) CYP1A2CYP2D6CYP2C19TDP1L3MBTL1
SCHEMBL1043782 0.75 MEN1 (0.54) CYP1A2CYP2D6CYP2C19TDP1L3MBTL1
SCHEMBL2095927 0.74 APP (0.52) MAOBAPPCYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108929281-A Triazole compound and synthesis method and application thereof 华东师范大学 2018-12-04 CN claimed
US-20180243298-A1 TRPV3 MODULATORS ABBVIE INC. 2018-08-30 US claimed
EP-3363788-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2018-08-22 EP claimed
US-9573966-B2 Anti-cancer activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2017-02-21 US claimed
WO-2016160938-A1 N-(1,3-THIAZOL-2-YL)PYRIMIDINE-5-CARBOXAMIDES AS TRPV3 MODULATORS ABBVIE INC. (US) 2016-10-06 WO claimed
EP-2616077-B1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES UNIV LEUVEN KATH (BE) 2016-08-31 EP claimed
CN-103787993-B Quinoxaline-2 (1H)-one compounds and its preparation method and application BEIJING UNIVERSITY OF TECHNOLOGY (CN) 2016-04-27 CN claimed
US-9193741-B2 Antiviral activity of bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-11-24 US claimed
EP-2405973-B1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS UNIV LEUVEN KATH (BE) 2015-04-22 EP claimed
US-8901132-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-12-02 US claimed
WO-2002024701-A2 SUBSTITUTED AZEPINO[4,5B)INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO claimed
EP-0505540-A4 PROCESS FOR PRODUCING POLYHYDROXYLATED PIPERIDINES AND PYRROLIDINES AND COMPOUNDS THEREOF 1992-10-28 EP claimed
EP-0505540-A1 PROCESS FOR PRODUCING POLYHYDROXYLATED PIPERIDINES AND PYRROLIDINES AND COMPOUNDS THEREOF MCNEILAB, INC. (US) 1992-09-30 EP claimed
WO-1992005152-A2 PROCESS FOR PRODUCING POLYHYDROXYLATED PIPERIDINES AND PYRROLIDINES AND COMPOUNDS THEREOF MCNEILAB, INC. (US) 1992-04-02 WO claimed
CN-1009199-B The preparation method of 2-substituting group-trimethylene diphosphonate derivatives SYMPHAR SA (CH) 1990-08-15 CN claimed
EP-0159584-B1 N-(AZOLYLCARBAMOYL)-HYDROXYL AMINES AND FUNGICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1989-01-18 EP claimed
US-4678798-A PLANTS, SEEDS BASF AKTIENGESELLSCHAFT (DE) 1987-07-07 US claimed
EP-0159584-A2 N-(azolylcarbamoyl)-hydroxyl amines and fungicides containing them BASF Aktiengesellschaft (DE) 1985-10-30 EP claimed
US-4430345-A 6-ALDOXIME OR KETOXIME BICYCLO(2,2,1)-NEPTANES FOR TREATMENT OF THROMBOSIS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-02-07 US claimed
EP-0013607-B1 SUBSTITUTED BICYCLO (2,2,1)HEPTANES AND BICYCLO (2,2,1) HEPT-2-ENES AND THEIR PHARMACEUTICAL COMPOSITIONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1983-03-23 EP 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 (1 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-20180243298-A1 TRPV3 MODULATORS TRPV3, TRPV1, TRPV2 MAOB 3293/4885APP 1088/4885CYP1A2 2617/4885

“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.