SCHEMBL3019903

SCHEMBL3019903

Cc1nc(C2(OCC3CC3)CCC(C#N)(c3ccccc3)CC2)nn1C1CCC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.34
OPRM1 P35372 2/20 0.33
GRM2 Q14416 1/20 0.33
OPRD1 P41143 1/20 0.33
KDM1A O60341 1/20 0.33
F11 P03951 2/20 0.32
HTR5A P47898 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CHRM4 P08173 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
SCHEMBL3023037 0.83 CYP2C19 (0.37) OPRM1OPRD1
SCHEMBL3013272 0.81 JAK2 (0.35) OPRL1OPRM1GRM2OPRD1KDM1A
SCHEMBL3013405 0.78 GRM2 (0.38) OPRL1OPRM1GRM2OPRD1KDM1A
SCHEMBL3013407 0.78 GRM2 (0.38) OPRL1OPRM1GRM2OPRD1KDM1A
SCHEMBL3013412 0.78 GRM2 (0.38) OPRL1OPRM1GRM2OPRD1KDM1A
SCHEMBL3029078 0.77 JAK2 (0.37) OPRL1OPRM1GRM2OPRD1KDM1A
SCHEMBL3007700 0.76 JAK2 (0.42) OPRL1OPRM1GRM2OPRD1KDM1A
SCHEMBL3007706 0.76 JAK2 (0.42) OPRL1OPRM1GRM2OPRD1KDM1A
SCHEMBL3024894 0.76 JAK2 (0.42) OPRL1OPRM1GRM2OPRD1KDM1A
SCHEMBL3019362 0.72 GRM2 (0.37) OPRL1OPRM1GRM2OPRD1KDM1A

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 9 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
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 OPRL1 1191/4885OPRM1 1255/4885GRM2 2008/4885

“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.