SCHEMBL3007700

SCHEMBL3007700

N#C[C@]1(c2ccccc2)CC[C@@](OCC2CC2)(c2nc(C3CC3)n(CC3CC3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
GRM2 Q14416 1/20 0.38
OPRL1 P41146 2/20 0.34
OPRM1 P35372 2/20 0.34
HTR5A P47898 1/20 0.32
KDM1A O60341 1/20 0.32
OPRD1 P41143 1/20 0.32
PRNP P04156 1/20 0.31
PTGIR P43119 1/20 0.31
CHRM4 P08173 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL3024894 1.00 JAK2 (0.42) JAK2JAK1GRM2OPRL1OPRM1
SCHEMBL3007706 1.00 JAK2 (0.42) JAK2JAK1GRM2OPRL1OPRM1
SCHEMBL3013405 0.86 GRM2 (0.38) JAK2JAK1GRM2OPRL1OPRM1
SCHEMBL3013412 0.86 GRM2 (0.38) JAK2JAK1GRM2OPRL1OPRM1
SCHEMBL3013407 0.86 GRM2 (0.38) JAK2JAK1GRM2OPRL1OPRM1
SCHEMBL3020023 0.83 AKR1C1 (0.34) PRNPPTGIRKMT2A
SCHEMBL3007835 0.83 AKR1C1 (0.34) PRNPPTGIRKMT2A
SCHEMBL3007830 0.83 AKR1C1 (0.34) PRNPPTGIRKMT2A
SCHEMBL3017022 0.79 GRM2 (0.38) JAK2JAK1GRM2OPRL1OPRM1
SCHEMBL3017015 0.79 GRM2 (0.38) JAK2JAK1GRM2OPRL1OPRM1

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 3 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

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 JAK2 4173/4885JAK1 3862/4885GRM2 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.