SCHEMBL3402489

SCHEMBL3402489

CN(C)C1(c2ccccc2)CCC(COCc2c[nH]c3ccncc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 17/20 0.51
OPRM1 P35372 15/20 0.49
HTR6 P50406 2/20 0.43
GPR84 Q9NQS5 1/20 0.37

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
SCHEMBL3405979 0.88 OPRL1 (0.65) OPRL1OPRM1
SCHEMBL3406231 0.85 HTR6 (0.42) OPRL1OPRM1HTR6GPR84
SCHEMBL3404197 0.83 OPRL1 (0.48) OPRL1OPRM1GPR84
SCHEMBL3428458 0.82 OPRM1 (0.65) OPRL1OPRM1GPR84
SCHEMBL3405007 0.81 OPRL1 (0.49) OPRL1OPRM1
SCHEMBL3431453 0.80 OPRL1 (0.50) OPRL1OPRM1
SCHEMBL3406604 0.80 HTR6 (0.42) OPRL1OPRM1HTR6GPR84
SCHEMBL3402459 0.79 OPRL1 (0.41) OPRL1OPRM1HTR6
SCHEMBL3405049 0.79 OPRL1 (0.49) OPRL1OPRM1
SCHEMBL3430225 0.78 OPRL1 (0.52) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254864-B1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2014-05-14 EP claimed
EP-2254864-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2010-12-01 EP claimed
WO-2009106307-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2009-09-03 WO claimed
US-20090215725-A1 Substituted 4-aminocyclohexane derivatives GRUNENTHAL GMBH (DE) 2009-08-27 US claimed
EP-2254864-B1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2014-05-14 EP disclosed
US-20090215725-A1 Substituted 4-aminocyclohexane derivatives GRUNENTHAL GMBH (DE) 2009-08-27 US 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-20090215725-A1 Substituted 4-aminocyclohexane derivatives OPRL1, OPRD1, OPRK1 OPRL1 1/4885OPRM1 7/4885HTR6 305/4885

“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.