SCHEMBL3025916

SCHEMBL3025916

CSc1cc(F)cc(C2(OCC3CC3)CCC(C(=O)O)(c3ccc(F)cc3)CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.37
CYP2C19 P33261 4/20 0.37
CYP3A4 P08684 4/20 0.37
CYP2C9 P11712 3/20 0.37
HSD11B1 P28845 1/20 0.34
S1PR2 O95136 2/20 0.34
PTGIR P43119 3/20 0.33
CYP2D6 P10635 2/20 0.33
PTGDR Q13258 2/20 0.33
ALDH1A1 P00352 1/20 0.32
OPRM1 P35372 1/20 0.32
AKR1B10 O60218 1/20 0.32
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL3025913 1.00 APP (0.37) APPCYP2C19CYP3A4CYP2C9HSD11B1
SCHEMBL3025910 1.00 APP (0.37) APPCYP2C19CYP3A4CYP2C9HSD11B1
SCHEMBL3022473 0.89 KMT2A (0.40) APPCYP2C19CYP3A4CYP2C9CYP2D6
SCHEMBL3022476 0.89 KMT2A (0.40) APPCYP2C19CYP3A4CYP2C9CYP2D6
SCHEMBL3022471 0.89 KMT2A (0.40) APPCYP2C19CYP3A4CYP2C9CYP2D6
SCHEMBL3012439 0.87 APP (0.37) APPCYP2C19CYP3A4CYP2C9S1PR2
SCHEMBL3012446 0.87 APP (0.37) APPCYP2C19CYP3A4CYP2C9S1PR2
SCHEMBL3012443 0.87 APP (0.37) APPCYP2C19CYP3A4CYP2C9S1PR2
SCHEMBL3020002 0.83 CYP3A4 (0.36) APPCYP2C19CYP3A4CYP2C9HSD11B1
SCHEMBL3020006 0.83 CYP3A4 (0.36) APPCYP2C19CYP3A4CYP2C9HSD11B1

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 5 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
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
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

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 APP 1592/4885CYP2C19 639/4885CYP3A4 762/4885

“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.