SCHEMBL1042587

SCHEMBL1042587

CN(C)C1(c2ccccc2)CCC(C(C)(O)Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 19/20 0.53
OPRM1 P35372 16/20 0.53
OPRK1 P41145 3/20 0.49

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
SCHEMBL1044608 0.87 OPRL1 (0.55) OPRL1OPRM1OPRK1
SCHEMBL1042943 0.81 OPRL1 (0.48) OPRL1OPRM1OPRK1
SCHEMBL1043922 0.80 OPRL1 (0.48) OPRL1OPRM1OPRK1
SCHEMBL25043591 0.80 SLC6A2 (0.47)
SCHEMBL1044333 0.80 OPRL1 (0.50) OPRL1OPRM1OPRK1
SCHEMBL1042596 0.78 OPRL1 (0.57) OPRL1OPRM1OPRK1
SCHEMBL1045551 0.77 OPRL1 (0.44) OPRL1OPRM1OPRK1
SCHEMBL25971519 0.77 SLC6A2 (0.44) OPRM1
SCHEMBL1044077 0.76 OPRL1 (0.44) OPRL1OPRM1OPRK1
SCHEMBL11861949 0.73 HRH1 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271613-B1 HYDROXYMETHYLCYCLOHEXYLAMINES GRUENENTHAL GMBH (DE) 2014-06-18 EP claimed
US-8288406-B2 Hydroxymethylcyclohexylamines GRUENENTHAL GMBH (DE) 2012-10-16 US 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
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-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

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 2/4885OPRK1 4/4885

“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.