SCHEMBL3019880

SCHEMBL3019880

N#C[C@]1(c2ccccc2)CC[C@](OCC2CC2)(c2ncc(-c3ccccc3)s2)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.36
MLYCD O95822 1/20 0.34
GRM2 Q14416 1/20 0.33
OPRM1 P35372 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
F11 P03951 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL3019882 1.00 USP30 (0.36) USP30MLYCDGRM2OPRM1JAK2
SCHEMBL3019885 1.00 USP30 (0.36) USP30MLYCDGRM2OPRM1JAK2
SCHEMBL3018151 0.82 ERCC5 (0.38) USP30MLYCD
SCHEMBL3018153 0.82 ERCC5 (0.38) USP30MLYCD
SCHEMBL3018150 0.82 ERCC5 (0.38) USP30MLYCD
SCHEMBL3025849 0.80 RAB9A (0.35) USP30GRM2OPRM1MEN1KMT2A
SCHEMBL3025856 0.80 RAB9A (0.35) USP30GRM2OPRM1MEN1KMT2A
SCHEMBL3025851 0.80 RAB9A (0.35) USP30GRM2OPRM1MEN1KMT2A
SCHEMBL3014844 0.77 MLYCD (0.41) USP30MLYCDOPRM1MEN1KMT2A
SCHEMBL3014846 0.77 MLYCD (0.41) USP30MLYCDOPRM1MEN1KMT2A

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 USP30 3053/4885MLYCD 1320/4885GRM2 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.