SCHEMBL3410403

SCHEMBL3410403

CC(=O)N(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 18/20 1.00
OPRL1 P41146 17/20 1.00
OPRK1 P41145 2/20 0.70

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
SCHEMBL3409654 0.84 OPRM1 (0.76) OPRM1OPRL1OPRK1
SCHEMBL4631671 0.84 OPRM1 (0.73) OPRM1OPRL1OPRK1
SCHEMBL3413521 0.84 OPRL1 (1.00) OPRM1OPRL1OPRK1
SCHEMBL9910972 0.83 OPRM1 (0.71) OPRM1OPRL1OPRK1
Hydrochloric Acid SCHEMBL7478467 0.82 OPRM1 (0.69) OPRM1OPRL1OPRK1
Hydrochloric Acid SCHEMBL7478459 0.82 OPRM1 (0.69) OPRM1OPRL1OPRK1
SCHEMBL5454659 0.81 OPRM1 (0.70) OPRM1OPRL1OPRK1
SCHEMBL3410975 0.80 OPRM1 (1.00) OPRM1OPRL1OPRK1
SCHEMBL3411654 0.80 OPRM1 (0.78) OPRM1OPRL1OPRK1
SCHEMBL4349986 0.80 OPRM1 (1.00) OPRM1OPRL1OPRK1

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 21 patents — showing the first 20. 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
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
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
EP-2260021-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2010-12-15 EP disclosed
US-20090247530-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 US disclosed
WO-2009118168-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2009-10-01 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 (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 OPRM1 4/4885OPRL1 1/4885OPRK1 2/4885
US-20090247530-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 OPRM1 4/4885OPRL1 1/4885OPRK1 2/4885
US-20120202810-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 OPRM1 4/4885OPRL1 1/4885OPRK1 2/4885
US-20130197095-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 OPRM1 4/4885OPRL1 1/4885OPRK1 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.