SCHEMBL2140487

SCHEMBL2140487

O=[C]c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
AR P10275 10/20 0.39
TRPV4 Q9HBA0 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
MPL P40238 2/20 0.37
KMO O15229 2/20 0.36
GPR3 P46089 1/20 0.36
VNN1 O95497 1/20 0.36
GRM4 Q14833 1/20 0.36

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
SCHEMBL6209867 0.83 KIF11 (0.53) KIF11GPR3
SCHEMBL2093550 0.83 TRPV4 (0.41) KIF11TRPV4
SCHEMBL185191 0.79 KIF11 (0.58) KIF11ARTRPV4SLC22A12VNN1
SCHEMBL29421437 0.79 KIF11 (0.58) KIF11ARTRPV4SLC22A12VNN1
SCHEMBL4927725 0.79 KIF11 (0.41) KIF11ARTRPV4SLC22A12MPL
SCHEMBL30967278 0.79 KIF11 (0.41) KIF11ARTRPV4SLC22A12MPL
SCHEMBL2520644 0.78 KDR (0.51) TRPV4
SCHEMBL5546385 0.78 MAPT (0.41) TRPV4
SCHEMBL6211552 0.78 NOTUM (0.40) KIF11ARTRPV4
SCHEMBL97003 0.75 GRM5 (0.46)

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034936-B2 Spirocyclic cyclohexane compounds useful to treat substance dependency GRUENENTHAL GMBH (DE) 2011-10-11 US claimed
US-20110053970-A1 Spirocyclic Cyclohexane Compounds Useful To Treat Substance Dependency GRUENENTHAL GMBH (DE) 2011-03-03 US claimed
US-20230278955-A1 VITAMIN D3 DERIVATIVES AND PHARMACEUTICAL USE THEREOF UNIV KYOTO (JP) 2023-09-07 US disclosed
US-20180265463-A1 Vitamin D3 Derivatives and Pharmaceutical Use Thereof KYOTO UNIVERSITY (JP) 2018-09-20 US disclosed
EP-3237377-A1 VITAMIN D3 DERIVATIVES AND PHARMACEUTICAL USE THEREOF Kyoto University (JP) 2017-11-01 EP disclosed
WO-2016103722-A1 VITAMIN D3 DERIVATIVES AND PHARMACEUTICAL USE THEREOF KYOTO UNIVERSITY (JP) 2016-06-30 WO disclosed
CN-101312939-A Heterocyclic cetp inhibitors BRISTOL MYERS SQUIBB CO (US) 2008-11-26 CN disclosed
EP-1727526-A2 PIPERAZINE UREA DERIVATIVES FOR THE TREATMENT OF ENDOMETRIOSIS Schering Aktiengesellschaft (DE) 2006-12-06 EP disclosed
EP-1261603-B1 FLAVONE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES AVENTIS PHARMA SA (FR) 2006-08-16 EP disclosed
CN-1723199-A 1,4-disubstituted piperidine derivatives and their use as 11-beta hsd1 inhibitors ASTRAZENECA AB (SE) 2006-01-18 CN disclosed
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors ASTRAZENECA AB (SE) 2005-11-17 US disclosed
WO-2005079769-A2 PIPERAZINE DERIVATIVES FOR THE TREATMENT OF ENDOMETRIOSIS SCHERING AKTIENGESELLSCHAFT (DE) 2005-09-01 WO disclosed
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 EP disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 WO disclosed
US-6541476-B1 Treating multiple sclerosis or encephalomyelitis in a human SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-01 US disclosed
EP-1261603-A1 FLAVONE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES Aventis Pharma S.A. (FR) 2002-12-04 EP disclosed
WO-2001064673-A1 FLAVONE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES AVENTIS PHARMA S.A. (FR) 2001-09-07 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 (4 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-20110053970-A1 Spirocyclic Cyclohexane Compounds Useful To Treat Substance Dependency TACR2, OPRK1, OPRD1 KIF11 4104/4885AR 587/4885TRPV4 979/4885
US-20230278955-A1 VITAMIN D3 DERIVATIVES AND PHARMACEUTICAL USE THEREOF VDR, CYP24A1, CYP2R1 KIF11 3592/4885AR 506/4885TRPV4 1568/4885
US-20180265463-A1 Vitamin D3 Derivatives and Pharmaceutical Use Thereof VDR, CYP24A1, CYP2R1 KIF11 3592/4885AR 506/4885TRPV4 1568/4885
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 KIF11 2492/4885AR 618/4885TRPV4 4528/4885

“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.