SCHEMBL330035

SCHEMBL330035

COc1cc[c]cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.36
PGR P06401 2/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 1/20 0.35
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAOB P27338 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 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
SCHEMBL1067980 0.84 AR (0.36) ARPGRHTR2AHTR2CALDH1A1
SCHEMBL1069020 0.82 HSD11B1 (0.34) CTSSCTSK
SCHEMBL996826 0.82 LMNA (0.38) HTR2AALDH1A1HPGDGAACA12
SCHEMBL1230707 0.79 RXRA (0.40) ARHTR2AALDH1A1HPGDCTSS
SCHEMBL932951 0.79 RXRA (0.40) CTSSCTSK
SCHEMBL21268228 0.79 AR (0.43) ARALDH1A1HPGDHSD17B10KDM4E
SCHEMBL15018312 0.78 LMNA (0.32) ALDH1A1HPGDGAACA12CA1
SCHEMBL932901 0.77
SCHEMBL21268215 0.77 ALDH1A1 (0.40) ALDH1A1HSD17B10CTSSKDM4E
SCHEMBL1068230 0.77 SLC22A12 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US claimed
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-10-31 US claimed
EP-4217062-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-08-02 EP claimed
CN-113135922-A Azacycloheptane [4,3,2-cd ] isoindol-2-one derivatives and application thereof 中国药科大学 2021-07-20 CN claimed
EP-3292114-B1 1-HETEROARYL-INDOLINE-4-CARBOXAMIDES AS MODULATORS OF GPR52 USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2020-03-11 EP claimed
EP-2970307-B1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-03-11 EP claimed
CN-106414429-B Pyrazole compounds and their use as T-type calcium channel blockers 爱杜西亚药品有限公司 2020-01-03 CN claimed
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-03-07 US claimed
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-09-04 US claimed
US-10035801-B2 Pyrazolo compounds and uses thereof GENENTECH, INC. (US) 2018-07-31 US claimed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO claimed
US-20080027029-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-31 US claimed
WO-2007136703-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO claimed
WO-2007134107-A2 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 WO claimed
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 EP claimed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US claimed
EP-1601657-A1 PYRAZOLE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2005-12-07 EP claimed
US-20050113423-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2005-05-26 US claimed
WO-2004080972-A1 PIRAZOLE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-09-23 WO claimed
EP-0812539-A1 Synergistic herbicidal compositions ROHM AND HAAS COMPANY (US) 1997-12-17 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 (8 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-20080027029-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 AR 1496/4885PGR 1671/4885HTR2A 1333/4885
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers CACNA1E, CACNA1I, CACNA1G AR 1974/4885PGR 1140/4885HTR2A 1585/4885
US-10035801-B2 Pyrazolo compounds and uses thereof KDM5A, KDM5C, KDM5B AR 2869/4885PGR 2616/4885HTR2A 3299/4885
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR1A AR 2098/4885PGR 2650/4885HTR2A 2/4885
US-20050113423-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 AR 3186/4885PGR 2354/4885HTR2A 3146/4885
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP AR 1175/4885PGR 2203/4885HTR2A 323/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR AR 78/4885PGR 301/4885HTR2A 246/4885
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators MGLL, LPL, PNLIP AR 1147/4885PGR 2227/4885HTR2A 319/4885

“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.