SCHEMBL4360396

SCHEMBL4360396

CCCCN(C)CC1(c2ccccc2)CCC(NC)(c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 12/20 0.60
OPRM1 P35372 11/20 0.60
OPRK1 P41145 1/20 0.51
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
SLC6A4 P31645 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL3411692 0.83 CHRM2 (0.43) OPRL1OPRM1OPRK1CHRM2CHRM1
SCHEMBL4360393 0.82 MAOA (0.57) OPRL1OPRM1OPRK1CHRM2CHRM1
SCHEMBL3411322 0.82 OPRL1 (0.67) OPRL1OPRM1OPRK1CHRM2CHRM1
SCHEMBL3408759 0.81 OPRM1 (0.58) OPRL1OPRM1OPRK1CHRM2CHRM1
SCHEMBL4350803 0.81 CHRM2 (0.45) OPRL1OPRM1CHRM2CHRM1SLC6A4
SCHEMBL3406992 0.79 CHRM2 (0.46) OPRL1OPRM1CHRM2CHRM1SLC6A4
SCHEMBL3410415 0.78 CHRM2 (0.48) OPRL1OPRM1CHRM2CHRM1SLC6A4
SCHEMBL3410985 0.75 OPRL1 (1.00) OPRL1OPRM1OPRK1
SCHEMBL1822928 0.72 OPRM1 (0.74) OPRL1OPRM1OPRK1SLC6A4
Hydrochloric Acid SCHEMBL28226628 0.71 OPRM1 (0.71) OPRL1OPRM1OPRK1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2502907-B1 Substituted 4-aminocyclohexane derivatives GRUENENTHAL GMBH (DE) 2018-08-29 EP disclosed
EP-2518052-B1 Substituted 4-aminocyclohexane derivatives GRUENENTHAL GMBH (DE) 2017-12-20 EP disclosed
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
EP-2260021-B1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-04-23 EP disclosed
US-20130197095-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2013-08-01 US disclosed
EP-2518052-A1 Substituted 4-aminocyclohexane derivatives Grünenthal GmbH (DE) 2012-10-31 EP disclosed
EP-2502907-A1 Substituted 4-aminocyclohexane derivatives Grünenthal GmbH (DE) 2012-09-26 EP 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.