SCHEMBL1044573

SCHEMBL1044573

CN(C)C1(c2cccc(F)c2)CCC(C=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.50
OPRL1 P41146 14/20 0.50
KDM1A O60341 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
OGFRL1 Q5TC84 1/20 0.40

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
SCHEMBL4344633 0.82 OPRL1 (0.49) OPRM1OPRL1KDM1ASLC6A2SLC6A4
SCHEMBL3144057 0.82 OPRL1 (0.62) OPRM1OPRL1
SCHEMBL316598 0.81 OPRL1 (0.66) OPRM1OPRL1KDM1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5572136 0.79 OPRL1 (0.64) OPRM1OPRL1KDM1ASLC6A2SLC6A4
SCHEMBL3411718 0.78 OPRL1 (0.51) OPRM1OPRL1KDM1ASLC6A2SLC6A4
SCHEMBL2985663 0.78 OPRM1 (0.51) OPRM1OPRL1KDM1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5572132 0.77 OPRM1 (0.50) OPRM1OPRL1KDM1ASLC6A2SLC6A4
SCHEMBL4344782 0.77 SLC6A4 (0.62) OPRM1OPRL1KDM1ASLC6A2SLC6A4
SCHEMBL517439 0.76 OPRL1 (0.50) OPRM1OPRL1KDM1ASLC6A2SLC6A4
SCHEMBL5160213 0.74 OPRM1 (0.50) OPRM1OPRL1KDM1ASLC6A2SLC6A4

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 12 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
EP-2271613-B1 HYDROXYMETHYLCYCLOHEXYLAMINES GRUENENTHAL GMBH (DE) 2014-06-18 EP disclosed
EP-2260021-B1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-04-23 EP disclosed
EP-2518052-A1 Substituted 4-aminocyclohexane derivatives Grünenthal GmbH (DE) 2012-10-31 EP disclosed
US-8288406-B2 Hydroxymethylcyclohexylamines GRUENENTHAL GMBH (DE) 2012-10-16 US disclosed
EP-2502907-A1 Substituted 4-aminocyclohexane derivatives Grünenthal GmbH (DE) 2012-09-26 EP disclosed
US-20110059999-A1 Hydroxymethylcyclohexylamines Grünenthal GmbH (DE) 2011-03-10 US disclosed
EP-2271613-A1 HYDROXYMETHYLCYCLOHEXYL AMINES Grünenthal GmbH (DE) 2011-01-12 EP disclosed
EP-2260021-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2010-12-15 EP disclosed
WO-2009118171-A1 HYDROXYMETHYLCYCLOHEXYL AMINES Grünenthal GmbH (DE) 2009-10-01 WO 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 (1 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-20110059999-A1 Hydroxymethylcyclohexylamines OPRL1, OPRM1, OPRD1 OPRM1 2/4885OPRL1 1/4885KDM1A 804/4885

“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.