SCHEMBL3406992

SCHEMBL3406992

CCCCN(C)CC1(c2ccccc2)CCC2(CC1)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
SLC6A4 P31645 4/20 0.45
SLC6A3 Q01959 3/20 0.45
OPRM1 P35372 4/20 0.45
OPRL1 P41146 4/20 0.45
SLC6A2 P23975 2/20 0.42
ICMT O60725 2/20 0.36
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
TSHR P16473 3/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4360393 0.82 MAOA (0.57) CHRM2CHRM1SLC6A4SLC6A3OPRM1
SCHEMBL3411322 0.82 OPRL1 (0.67) CHRM2CHRM1SLC6A4SLC6A3OPRM1
SCHEMBL3411624 0.82 OPRM1 (0.64) CHRM2CHRM1SLC6A4SLC6A3OPRM1
SCHEMBL3413377 0.81 SLC6A4 (0.47) CHRM2CHRM1SLC6A4SLC6A3OPRM1
SCHEMBL4360396 0.79 OPRL1 (0.60) CHRM2CHRM1SLC6A4SLC6A3OPRM1
SCHEMBL3410415 0.78 CHRM2 (0.48) CHRM2CHRM1SLC6A4SLC6A3OPRM1
SCHEMBL4350803 0.75 CHRM2 (0.45) CHRM2CHRM1SLC6A4SLC6A3OPRM1
SCHEMBL3411692 0.75 CHRM2 (0.43) CHRM2CHRM1SLC6A4SLC6A3OPRM1
SCHEMBL4346995 0.73 OPRM1 (0.51) SLC6A4OPRM1OPRL1SLC6A2TSHR
SCHEMBL3413550 0.71 OPRM1 (0.40) SLC6A4OPRM1OPRL1SLC6A2ICMT

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 13 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-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 CHRM2 641/4885CHRM1 299/4885SLC6A4 677/4885
US-20090247530-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 CHRM2 641/4885CHRM1 299/4885SLC6A4 677/4885
US-20120202810-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 CHRM2 641/4885CHRM1 299/4885SLC6A4 677/4885
US-20130197095-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 CHRM2 641/4885CHRM1 299/4885SLC6A4 677/4885

“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.