SCHEMBL1119612

SCHEMBL1119612

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 18/20 1.00
OPRM1 P35372 16/20 1.00
OPRK1 P41145 5/20 1.00

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
SCHEMBL3413521 0.87 OPRL1 (1.00) OPRL1OPRM1OPRK1
SCHEMBL1119633 0.87 OPRL1 (0.82) OPRL1OPRM1OPRK1
SCHEMBL13695532 0.86 OPRL1 (0.79) OPRL1OPRM1OPRK1
SCHEMBL10060840 0.82 OPRL1 (0.68) OPRL1OPRM1OPRK1
SCHEMBL7815717 0.82 OPRL1 (0.68) OPRL1OPRM1OPRK1
SCHEMBL1119663 0.81 OPRM1 (0.67) OPRL1OPRM1OPRK1
SCHEMBL1119709 0.80 OPRL1 (0.77) OPRL1OPRM1OPRK1
SCHEMBL1119849 0.79 OPRL1 (0.63) OPRL1OPRM1OPRK1
SCHEMBL1120165 0.79 OPRL1 (0.63) OPRL1OPRM1OPRK1
SCHEMBL27805494 0.79 OPRL1 (0.64) OPRL1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280941-B1 (HETERO-)ARYL CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2015-05-06 EP disclosed
US-7977370-B2 (Hetero)aryl cyclohexane derivatives GRUENENTHAL GMBH (DE) 2011-07-12 US disclosed
EP-2280941-A1 (HETERO-)ARYL CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2011-02-09 EP disclosed
WO-2009118163-A1 (HETERO-)ARYL CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2009-10-01 WO disclosed
US-20090247573-A1 (HETERO)ARYL CYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 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-20090247573-A1 (HETERO)ARYL CYCLOHEXANE DERIVATIVES 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.