SCHEMBL4354596

SCHEMBL4354596

CN(C)CC1(c2ccccc2)CCC(N(C)C)CC1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.65
SLC6A3 Q01959 15/20 0.65
SLC6A2 P23975 8/20 0.65
OPRM1 P35372 2/20 0.61
OPRL1 P41146 2/20 0.61
TACR1 P25103 2/20 0.51

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
SCHEMBL1201181 0.79 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
Hydrochloric Acid SCHEMBL3518260 0.77 SLC6A4 (0.96) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
SCHEMBL3408207 0.76 OPRL1 (1.00) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
SCHEMBL8041537 0.76 SLC6A4 (0.69) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
SCHEMBL4352504 0.75 OPRL1 (0.68) OPRM1OPRL1
SCHEMBL3411327 0.75 SLC6A4 (0.67) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
SCHEMBL17286025 0.75 SLC6A4 (0.67) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
SCHEMBL4352487 0.74 OPRL1 (0.60) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
SCHEMBL467357 0.74 OPRL1 (0.58) SLC6A4OPRM1OPRL1TACR1
SCHEMBL317531 0.74 OPRL1 (0.47) OPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SLC6A4 677/4885SLC6A3 1002/4885SLC6A2 1369/4885
US-20090247530-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 SLC6A4 677/4885SLC6A3 1002/4885SLC6A2 1369/4885
US-20120202810-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 SLC6A4 677/4885SLC6A3 1002/4885SLC6A2 1369/4885
US-20130197095-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 SLC6A4 677/4885SLC6A3 1002/4885SLC6A2 1369/4885

“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.