SCHEMBL3007992

SCHEMBL3007992

CCS(=O)(=O)c1cc(F)cc([C@]2(OCC3CC3)CC[C@](C(=O)O)(c3ccc(F)cc3)CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.36
APP P05067 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
S1PR2 O95136 2/20 0.36
CYP2D6 P10635 2/20 0.34
KAT6A Q92794 1/20 0.34
RORC P51449 4/20 0.33
HSD11B1 P28845 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
OPRM1 P35372 1/20 0.33
TSHR P16473 1/20 0.33
SSTR5 P35346 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL3007993 1.00 CYP3A4 (0.36) CYP3A4APPCYP2C9CYP2C19S1PR2
SCHEMBL3007997 1.00 CYP3A4 (0.36) CYP3A4APPCYP2C9CYP2C19S1PR2
SCHEMBL3027603 0.94 S1PR2 (0.34) CYP3A4APPCYP2C9CYP2C19S1PR2
SCHEMBL3020002 0.91 CYP3A4 (0.36) CYP3A4APPCYP2C9CYP2C19S1PR2
SCHEMBL3020004 0.91 CYP3A4 (0.36) CYP3A4APPCYP2C9CYP2C19S1PR2
SCHEMBL3020006 0.91 CYP3A4 (0.36) CYP3A4APPCYP2C9CYP2C19S1PR2
SCHEMBL3007730 0.91 S1PR2 (0.37) CYP3A4APPCYP2C9CYP2C19S1PR2
SCHEMBL3007725 0.89 CYP3A4 (0.35) CYP3A4APPCYP2C9CYP2C19S1PR2
SCHEMBL3027600 0.89 S1PR2 (0.36) CYP3A4APPCYP2C9CYP2C19S1PR2
SCHEMBL3007731 0.89 CYP3A4 (0.35) CYP3A4APPCYP2C9CYP2C19S1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164825-B1 DI(HETERO)ARYLCYCLOHEXANE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM SANOFI SA (FR) 2014-04-30 EP disclosed
EP-2164825-B1 DI(HETERO)ARYLCYCLOHEXANE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM SANOFI SA (FR) 2014-04-30 EP disclosed
US-8076324-B2 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS (FR) 2011-12-13 US disclosed
US-8076324-B2 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS (FR) 2011-12-13 US disclosed
US-8076324-B2 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS (FR) 2011-12-13 US disclosed
US-20100204206-A1 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS (FR) 2010-08-12 US disclosed
US-20100204206-A1 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS (FR) 2010-08-12 US disclosed
US-20100204206-A1 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS (FR) 2010-08-12 US disclosed
EP-2164825-A1 DI(HETERO)ARYLCYCLOHEXANE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Sanofi-Aventis (FR) 2010-03-24 EP disclosed
WO-2008148468-A1 DI(HETERO)ARYLCYCLOHEXANE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM SANOFI-AVENTIS (FR) 2008-12-11 WO disclosed
WO-2008148468-A1 DI(HETERO)ARYLCYCLOHEXANE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM SANOFI-AVENTIS (FR) 2008-12-11 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 (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-20100204206-A1 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them ATP2A1, ATP2A2, RYR2 CYP3A4 762/4885APP 1592/4885CYP2C9 559/4885

“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.