SCHEMBL4352116

SCHEMBL4352116

CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)C2CCCCC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 17/20 0.63
OPRM1 P35372 15/20 0.63
OPRK1 P41145 3/20 0.54

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
SCHEMBL7314223 0.88 OPRL1 (0.48) OPRL1OPRM1OPRK1
SCHEMBL4348595 0.86 OPRL1 (0.60) OPRL1OPRM1OPRK1
SCHEMBL4354390 0.85 OPRL1 (0.58) OPRL1OPRM1OPRK1
SCHEMBL4298027 0.82 OPRL1 (0.42) OPRL1OPRM1OPRK1
SCHEMBL7313593 0.81 CACNA1G (0.53) OPRL1
SCHEMBL7312540 0.80 OPRM1 (0.51) OPRL1OPRM1OPRK1
SCHEMBL3410403 0.78 OPRM1 (1.00) OPRL1OPRM1OPRK1
SCHEMBL7745677 0.77 ALDH1A1 (0.38) OPRL1OPRM1OPRK1
Bicarbonate SCHEMBL5156531 0.76 OPRL1 (0.67) OPRL1OPRM1OPRK1
SCHEMBL23718993 0.76 CCR5 (0.54) OPRL1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140357634-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2014-12-04 US claimed
US-8835689-B2 Substituted 4-aminocyclohexane derivatives Grünenthal GmbH (DE) 2014-09-16 US claimed
US-20120202810-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2012-08-09 US claimed
US-20090247530-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 US claimed
US-9580386-B2 Substituted 4-aminocyclohexane derivatives GRÜNENTHAL (DE) 2017-02-28 US disclosed
US-9403767-B2 Substituted 4-aminocyclohexane derivatives GRUENENTHAL GMBH (DE) 2016-08-02 US disclosed
US-20140357634-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2014-12-04 US disclosed
US-8835689-B2 Substituted 4-aminocyclohexane derivatives Grünenthal GmbH (DE) 2014-09-16 US disclosed
US-20130197095-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2013-08-01 US disclosed
US-20120202810-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2012-08-09 US disclosed
US-20090247530-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE 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 (4 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-20140357634-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 OPRL1 1/4885OPRM1 4/4885OPRK1 2/4885
US-20090247530-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 OPRL1 1/4885OPRM1 4/4885OPRK1 2/4885
US-20120202810-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 OPRL1 1/4885OPRM1 4/4885OPRK1 2/4885
US-20130197095-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 OPRL1 1/4885OPRM1 4/4885OPRK1 2/4885

“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.