SCHEMBL4348241

SCHEMBL4348241

CNC1CCC(Cc2ccccc2)(CN(C)C)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 14/20 0.60
OPRM1 P35372 12/20 0.60
KDM1A O60341 2/20 0.42
OPRK1 P41145 1/20 0.37
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TACR1 P25103 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL6138260 0.82 OPRL1 (0.78) OPRL1OPRM1KDM1AOPRK1SLC6A4
SCHEMBL4352487 0.82 OPRL1 (0.60) OPRL1OPRM1KDM1AOPRK1SLC6A4
SCHEMBL28386466 0.82 KDM1A (0.40) OPRL1OPRM1KDM1ASLC6A4TACR1
SCHEMBL5167763 0.80 OPRM1 (0.54) OPRL1OPRM1KDM1AOPRK1SLC6A4
SCHEMBL3411324 0.75 OPRL1 (1.00) OPRL1OPRM1KDM1AOPRK1SLC6A4
SCHEMBL3413567 0.74 OPRL1 (0.61) OPRL1OPRM1KDM1AOPRK1SLC6A4
SCHEMBL3406916 0.73 OPRL1 (0.64) OPRL1OPRM1KDM1AOPRK1SLC6A4
SCHEMBL3408991 0.73 OPRL1 (1.00) OPRL1OPRM1OPRK1
SCHEMBL3409102 0.71 OPRL1 (0.61) OPRL1OPRM1KDM1AOPRK1SLC6A4
SCHEMBL4355485 0.70 OPRM1 (0.49) OPRL1OPRM1SLC6A4SLC6A2SLC6A3

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 OPRL1 1/4885OPRM1 4/4885KDM1A 2884/4885
US-20090247530-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 OPRL1 1/4885OPRM1 4/4885KDM1A 2884/4885
US-20120202810-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 OPRL1 1/4885OPRM1 4/4885KDM1A 2884/4885
US-20130197095-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 OPRL1 1/4885OPRM1 4/4885KDM1A 2884/4885

“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.