SCHEMBL3408757

SCHEMBL3408757

CN(Cc1ccccc1)CC1(c2ccccc2)CCC(CN)(c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.61
MAOB P27338 2/20 0.61
TAAR1 Q96RJ0 1/20 0.61
DPP4 P27487 3/20 0.53
OPRM1 P35372 5/20 0.49
OPRL1 P41146 5/20 0.49
SLC6A4 P31645 3/20 0.47
SLC6A3 Q01959 3/20 0.47
SLC6A2 P23975 2/20 0.47
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
PRMT8 Q9NR22 1/20 0.47
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
AOC3 Q16853 1/20 0.41
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
PYCR1 P32322 1/20 0.39

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
SCHEMBL3406996 0.85 OPRL1 (0.69) OPRM1OPRL1SLC6A4SLC6A3SLC6A2
SCHEMBL3408759 0.81 OPRM1 (0.58) MAOAMAOBTAAR1OPRM1OPRL1
SCHEMBL3413377 0.81 SLC6A4 (0.47) MAOAMAOBTAAR1OPRM1OPRL1
SCHEMBL3407753 0.81 SLC6A2 (0.46) MAOAMAOBOPRM1OPRL1SLC6A4
SCHEMBL4360393 0.79 MAOA (0.57) MAOAMAOBTAAR1DPP4OPRM1
SCHEMBL1492704 0.78 MAOB (1.00) MAOAMAOBTAAR1DPP4OPRM1
SCHEMBL4355485 0.77 OPRM1 (0.49) DPP4OPRM1OPRL1SLC6A4SLC6A3
SCHEMBL3407538 0.77 OPRM1 (0.42) MAOAMAOBOPRM1OPRL1SLC6A4
Hydrochloric Acid SCHEMBL6813615 0.76 MAOB (0.95) MAOAMAOBTAAR1DPP4SLC6A4
Trimethylammonium SCHEMBL27748413 0.72 DPP4 (0.79) MAOAMAOBTAAR1DPP4SLC6A4

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 14 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-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 MAOA 1676/4885MAOB 1813/4885TAAR1 116/4885
US-20090247530-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 MAOA 1676/4885MAOB 1813/4885TAAR1 116/4885
US-20120202810-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 MAOA 1676/4885MAOB 1813/4885TAAR1 116/4885
US-20130197095-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 MAOA 1676/4885MAOB 1813/4885TAAR1 116/4885

“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.