SCHEMBL2435858

SCHEMBL2435858

CN(C)C1(c2cccc(F)c2)CCC2(CC1(F)F)c1[nH]c3ccccc3c1CCN2C(=O)/C=C/c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.49
OGFRL1 Q5TC84 6/20 0.49
OPRL1 P41146 9/20 0.43
TRPV1 Q8NER1 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CDK4 P11802 3/20 0.35
CCND1 P24385 3/20 0.35
OPRD1 P41143 3/20 0.35
OPRK1 P41145 3/20 0.35
ESR1 P03372 2/20 0.35

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
SCHEMBL2435861 1.00 OPRM1 (0.49) OPRM1OGFRL1OPRL1TRPV1BCHE
SCHEMBL2437786 0.95 OPRM1 (0.49) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2437782 0.95 OPRM1 (0.49) OPRM1OGFRL1OPRL1OPRD1OPRK1
Grt-6010 SCHEMBL10038872 0.88 OPRM1 (0.63) OPRM1OGFRL1OPRL1OPRD1OPRK1
Grt-6010 SCHEMBL518255 0.88 OPRM1 (0.63) OPRM1OGFRL1OPRL1OPRD1OPRK1
Grt-6010 SCHEMBL517442 0.88 OPRM1 (0.63) OPRM1OGFRL1OPRL1OPRD1OPRK1
Grt-6010 SCHEMBL517767 0.88 OPRM1 (0.63) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL19526260 0.86 OPRM1 (0.51) OPRM1OGFRL1OPRL1TRPV1BCHE
Grt-6010 SCHEMBL16051840 0.86 OPRM1 (0.61) OPRM1OGFRL1OPRL1OPRD1OPRK1
Grt-6010 SCHEMBL16051841 0.86 OPRM1 (0.61) OPRM1OGFRL1OPRL1OPRD1OPRK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293758-B2 Substituted spirocyclic cyclohexane derivatives GRUNENTHAL GMBH (DE) 2012-10-23 US claimed
EP-2260042-B1 SUBSTITUTED SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-09-21 EP claimed
US-20090247561-A1 SUBSTITUTED SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 US claimed
US-8293758-B2 Substituted spirocyclic cyclohexane derivatives GRUNENTHAL GMBH (DE) 2012-10-23 US disclosed
EP-2260042-B1 SUBSTITUTED SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-09-21 EP disclosed
US-20090247561-A1 SUBSTITUTED SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 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-20090247561-A1 SUBSTITUTED SPIROCYCLIC CYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 OPRM1 4/4885OGFRL1 5/4885OPRL1 1/4885

“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.