SCHEMBL3019033

SCHEMBL3019033

CSc1cc(F)cc(C2(OCC3CC3)CCC(C#N)(c3ccccc3)CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
OPRL1 P41146 2/20 0.33
CYP2D6 P10635 1/20 0.33
GRM2 Q14416 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRM1 P35372 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM1A O60341 1/20 0.31
KAT6A Q92794 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
SCHEMBL3019029 1.00 ALDH1A1 (0.36) ALDH1A1OPRL1CYP2D6GRM2OPRD1
SCHEMBL3019027 1.00 ALDH1A1 (0.36) ALDH1A1OPRL1CYP2D6GRM2OPRD1
SCHEMBL3026233 0.93 FFAR4 (0.32) ALDH1A1CYP2D6
SCHEMBL3026235 0.93 FFAR4 (0.32) ALDH1A1CYP2D6
SCHEMBL3026237 0.93 FFAR4 (0.32) ALDH1A1CYP2D6
SCHEMBL3024424 0.82 ALDH1A1 (0.33) ALDH1A1OPRL1CYP2D6GRM2OPRD1
SCHEMBL3024428 0.82 ALDH1A1 (0.33) ALDH1A1OPRL1CYP2D6GRM2OPRD1
SCHEMBL3024430 0.82 ALDH1A1 (0.33) ALDH1A1OPRL1CYP2D6GRM2OPRD1
SCHEMBL3014300 0.82 ALDH1A1 (0.43) ALDH1A1OPRL1CYP2D6GRM2OPRD1
SCHEMBL3025910 0.76 APP (0.37) ALDH1A1CYP2D6OPRM1MEN1KMT2A

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 ALDH1A1 1662/4885OPRL1 1191/4885CYP2D6 245/4885

“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.