SCHEMBL3017530

SCHEMBL3017530

NC(=O)C1(c2ccc(F)cc2)CCC(Oc2ccccn2)(c2ccc(F)cn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
OPRL1 P41146 2/20 0.38
P2RX7 Q99572 1/20 0.34
HSD11B1 P28845 5/20 0.33
IDO1 P14902 2/20 0.32
SYK P43405 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MLYCD O95822 1/20 0.32
SQOR Q9Y6N5 1/20 0.32
GRM5 P41594 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
HDAC3 O15379 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
AKT1 P31749 1/20 0.31
CNR1 P21554 1/20 0.30

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
SCHEMBL3017524 1.00 OPRM1 (0.38) OPRM1OPRD1OPRK1OPRL1P2RX7
SCHEMBL3022209 0.91 APP (0.37) P2RX7HSD11B1IDO1LMNASMN1; SMN2
SCHEMBL3022207 0.91 APP (0.37) P2RX7HSD11B1IDO1LMNASMN1; SMN2
SCHEMBL3012200 0.88 OPRM1 (0.38) OPRM1OPRD1OPRK1OPRL1P2RX7
SCHEMBL3012206 0.88 OPRM1 (0.38) OPRM1OPRD1OPRK1OPRL1P2RX7
SCHEMBL3007818 0.86 OPRL1 (0.40) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL3007824 0.86 OPRL1 (0.40) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL3012882 0.79 BDKRB1 (0.33) LMNASMN1; SMN2SQOR
SCHEMBL3012877 0.79 BDKRB1 (0.33) LMNASMN1; SMN2SQOR
SCHEMBL3023288 0.78 APP (0.39) P2RX7HSD11B1MLYCDPTGDR2CNR1

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 OPRM1 1255/4885OPRD1 542/4885OPRK1 805/4885

“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.