SCHEMBL1042013

SCHEMBL1042013

CN(C)C1(c2cccc(F)c2)CCC(C(O)Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 15/20 0.53
OPRM1 P35372 13/20 0.53

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
SCHEMBL1044704 0.88 OPRL1 (0.55) OPRL1OPRM1
SCHEMBL1044575 0.87 OPRL1 (0.47) OPRL1OPRM1
Hydrochloric Acid SCHEMBL6524564 0.86 OPRL1 (0.56) OPRL1OPRM1
SCHEMBL1041404 0.84 OPRM1 (0.44) OPRL1OPRM1
SCHEMBL1042981 0.76 OPRM1 (0.52) OPRL1OPRM1
SCHEMBL27827771 0.74 OPRM1 (0.47) OPRL1OPRM1
SCHEMBL1045550 0.74 OPRM1 (0.44) OPRL1OPRM1
SCHEMBL4344633 0.74 OPRL1 (0.49) OPRL1OPRM1
SCHEMBL27827768 0.73 OPRM1 (0.39) OPRL1OPRM1
SCHEMBL316598 0.73 OPRL1 (0.66) OPRL1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102046591-B Hydroxymethyl cyclohexylamine GRUENENTHAL GMBH 2014-12-03 CN claimed
EP-2271613-B1 HYDROXYMETHYLCYCLOHEXYLAMINES GRUENENTHAL GMBH (DE) 2014-06-18 EP claimed
US-8288406-B2 Hydroxymethylcyclohexylamines GRUENENTHAL GMBH (DE) 2012-10-16 US claimed
CN-102046591-A Hydroxymethyl cyclohexylamine GRUENENTHAL GMBH 2011-05-04 CN claimed
US-20110059999-A1 Hydroxymethylcyclohexylamines Grünenthal GmbH (DE) 2011-03-10 US claimed
EP-2271613-A1 HYDROXYMETHYLCYCLOHEXYL AMINES Grünenthal GmbH (DE) 2011-01-12 EP claimed
WO-2009118171-A1 HYDROXYMETHYLCYCLOHEXYL AMINES Grünenthal GmbH (DE) 2009-10-01 WO claimed
CN-102046591-B Hydroxymethyl cyclohexylamine GRUENENTHAL GMBH 2014-12-03 CN disclosed
EP-2271613-B1 HYDROXYMETHYLCYCLOHEXYLAMINES GRUENENTHAL GMBH (DE) 2014-06-18 EP disclosed
EP-2271613-B1 HYDROXYMETHYLCYCLOHEXYLAMINES GRUENENTHAL GMBH (DE) 2014-06-18 EP disclosed
US-8288406-B2 Hydroxymethylcyclohexylamines GRUENENTHAL GMBH (DE) 2012-10-16 US disclosed
US-8288406-B2 Hydroxymethylcyclohexylamines GRUENENTHAL GMBH (DE) 2012-10-16 US disclosed
US-8288406-B2 Hydroxymethylcyclohexylamines GRUENENTHAL GMBH (DE) 2012-10-16 US disclosed
CN-102046591-A Hydroxymethyl cyclohexylamine GRUENENTHAL GMBH 2011-05-04 CN disclosed
US-20110059999-A1 Hydroxymethylcyclohexylamines Grünenthal GmbH (DE) 2011-03-10 US disclosed
US-20110059999-A1 Hydroxymethylcyclohexylamines Grünenthal GmbH (DE) 2011-03-10 US 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
WO-2009118171-A1 HYDROXYMETHYLCYCLOHEXYL AMINES Grünenthal GmbH (DE) 2009-10-01 WO disclosed
WO-2009118171-A1 HYDROXYMETHYLCYCLOHEXYL AMINES 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 OPRL1 1/4885OPRM1 2/4885

“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.