SCHEMBL3410359

SCHEMBL3410359

CN1CCC(CNCC2(c3ccccc3)CCC(c3ccccc3)(N(C)C)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 16/20 0.49
OPRM1 P35372 13/20 0.49
CACNA1G O43497 1/20 0.47
OPRK1 P41145 3/20 0.45
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
P2RX7 Q99572 1/20 0.41

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
SCHEMBL3410362 0.77 OPRL1 (0.53) OPRL1OPRM1OPRK1
SCHEMBL3409558 0.74 OPRM1 (0.62) OPRL1OPRM1OPRK1
SCHEMBL3412124 0.73 OPRM1 (0.59) OPRL1OPRM1OPRK1
SCHEMBL17444082 0.72 OPRM1 (0.84) OPRL1OPRM1
SCHEMBL14534167 0.71 OPRL1 (0.69) OPRL1OPRM1OPRK1
SCHEMBL4349913 0.71 OPRM1 (0.63) OPRL1OPRM1OPRK1KDM1A
SCHEMBL4354390 0.70 OPRL1 (0.58) OPRL1OPRM1OPRK1
SCHEMBL3410758 0.70 OPRL1 (0.50) OPRL1OPRM1OPRK1
SCHEMBL19146068 0.69 OPRL1 (0.58) OPRL1OPRM1OPRK1
SCHEMBL3411707 0.68 CHRM3 (0.56) 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 19 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
EP-2260021-B1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-04-23 EP claimed
EP-2502907-A1 Substituted 4-aminocyclohexane derivatives Grünenthal GmbH (DE) 2012-09-26 EP claimed
US-20120202810-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2012-08-09 US claimed
EP-2260021-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2010-12-15 EP claimed
US-20090247530-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 US claimed
WO-2009118168-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2009-10-01 WO claimed
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 4/4885CACNA1G 215/4885
US-20090247530-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 OPRL1 1/4885OPRM1 4/4885CACNA1G 215/4885
US-20120202810-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 OPRL1 1/4885OPRM1 4/4885CACNA1G 215/4885
US-20130197095-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 OPRL1 1/4885OPRM1 4/4885CACNA1G 215/4885

“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.