SCHEMBL3013412

SCHEMBL3013412

N#CC1(c2ccccc2)CCC(OCC2CC2)(c2nc(-c3ccccc3)n(CC3CC3)n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
PRNP P04156 1/20 0.35
PTGIR P43119 1/20 0.35
OPRL1 P41146 2/20 0.34
OPRM1 P35372 1/20 0.34
HTR5A P47898 1/20 0.34
KDM1A O60341 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
F11 P03951 2/20 0.32
TNF P01375 1/20 0.32
OPRD1 P41143 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
SCHEMBL3013407 1.00 GRM2 (0.38) GRM2JAK2JAK1PRNPPTGIR
SCHEMBL3013405 1.00 GRM2 (0.38) GRM2JAK2JAK1PRNPPTGIR
SCHEMBL3007706 0.86 JAK2 (0.42) GRM2JAK2JAK1PRNPPTGIR
SCHEMBL3024894 0.86 JAK2 (0.42) GRM2JAK2JAK1PRNPPTGIR
SCHEMBL3007700 0.86 JAK2 (0.42) GRM2JAK2JAK1PRNPPTGIR
SCHEMBL3012523 0.84 GRM2 (0.40) GRM2JAK2JAK1OPRL1OPRM1
SCHEMBL3012525 0.84 GRM2 (0.40) GRM2JAK2JAK1OPRL1OPRM1
SCHEMBL3012520 0.84 GRM2 (0.40) GRM2JAK2JAK1OPRL1OPRM1
SCHEMBL3007929 0.83 PTGIR (0.36) PRNPPTGIRKMT2A
SCHEMBL3007935 0.83 PTGIR (0.36) PRNPPTGIRKMT2A

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 GRM2 2008/4885JAK2 4173/4885JAK1 3862/4885

“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.