SCHEMBL3023288

SCHEMBL3023288

O=C(O)[C@]1(c2ccc(F)cc2)CC[C@](Oc2ncccn2)(c2ccc(F)cn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
MLYCD O95822 1/20 0.38
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
LPAR1 Q92633 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35
AKR1C1 Q04828 2/20 0.35
HSD11B1 P28845 4/20 0.34
P2RX7 Q99572 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CNR1 P21554 1/20 0.32
CYP2D6 P10635 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
SCHEMBL3023291 1.00 APP (0.39) APPCYP2C9CYP2C19CYP3A4MLYCD
SCHEMBL3012206 0.90 OPRM1 (0.38) MLYCDHSD11B1P2RX7PTGDR2
SCHEMBL3012200 0.90 OPRM1 (0.38) MLYCDHSD11B1P2RX7PTGDR2
SCHEMBL3022207 0.88 APP (0.37) APPCYP2C9CYP2C19CYP3A4MLYCD
SCHEMBL3022209 0.88 APP (0.37) APPCYP2C9CYP2C19CYP3A4MLYCD
SCHEMBL3019367 0.87 APP (0.39) APPCYP2C9CYP2C19CYP3A4MLYCD
SCHEMBL3019371 0.87 APP (0.39) APPCYP2C9CYP2C19CYP3A4MLYCD
SCHEMBL3007818 0.79 OPRL1 (0.40) APPCYP2C9CYP2C19CYP3A4MLYCD
SCHEMBL3007824 0.79 OPRL1 (0.40) APPCYP2C9CYP2C19CYP3A4MLYCD
SCHEMBL3017524 0.78 OPRM1 (0.38) MLYCDHSD11B1P2RX7PTGDR2CNR1

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 10 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

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 1592/4885CYP2C9 559/4885CYP2C19 639/4885

“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.