SCHEMBL6659407

SCHEMBL6659407

N[C@H]1CC[C@](O)(c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.56
OPRM1 P35372 6/20 0.48
OPRK1 P41145 5/20 0.48
OPRD1 P41143 3/20 0.44
POLB P06746 1/20 0.43
MAOB P27338 5/20 0.42
MAOA P21397 3/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6659416 1.00 OPRL1 (0.56) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL6659414 1.00 OPRL1 (0.56) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL12539940 0.88 OPRL1 (0.49) OPRL1OPRM1OPRK1OPRD1MAOB
SCHEMBL11815569 0.81 OPRL1 (0.50) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL16536389 0.80 MAOB (0.47) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL16536387 0.80 MAOB (0.47) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL15335675 0.80 MAOB (0.47) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL6665228 0.80 OPRK1 (0.43) OPRL1OPRM1OPRK1OPRD1
SCHEMBL10060840 0.79 OPRL1 (0.68) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL7815717 0.79 OPRL1 (0.68) OPRL1OPRM1OPRK1OPRD1POLB

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
US-20040224954-A1 Substituted 1H-quinoxalin-2-one compounds and substituted 4-aryl- and 4-heteroarylcyclohexane compounds GRUNENTHAL GMBH (DE) 2004-11-11 US claimed
EP-1444212-A1 SUBSTITUTED (1H)-QUINOXALIN-2-ONE COMPOUNDS AND SUBSTITUTED 4-ARYL- AND 4-HETEROARYLCYCLOHEXANE COMPOUNDS Grünenthal GmbH (DE) 2004-08-11 EP claimed
WO-2003037879-A1 SUBSTITUTED (1H)-QUINOXALIN-2-ONE COMPOUNDS AND SUBSTITUTED 4-ARYL- AND 4-HETEROARYLCYCLOHEXANE COMPOUNDS Grünenthal GmbH (DE) 2003-05-08 WO claimed
US-20040224954-A1 Substituted 1H-quinoxalin-2-one compounds and substituted 4-aryl- and 4-heteroarylcyclohexane compounds GRUNENTHAL GMBH (DE) 2004-11-11 US disclosed
EP-1444212-A1 SUBSTITUTED (1H)-QUINOXALIN-2-ONE COMPOUNDS AND SUBSTITUTED 4-ARYL- AND 4-HETEROARYLCYCLOHEXANE COMPOUNDS Grünenthal GmbH (DE) 2004-08-11 EP disclosed
WO-2003037879-A1 SUBSTITUTED (1H)-QUINOXALIN-2-ONE COMPOUNDS AND SUBSTITUTED 4-ARYL- AND 4-HETEROARYLCYCLOHEXANE COMPOUNDS Grünenthal GmbH (DE) 2003-05-08 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-20040224954-A1 Substituted 1H-quinoxalin-2-one compounds and substituted 4-aryl- and 4-heteroarylcyclohexane compounds NQO2, NQO1, CYP2C8 OPRL1 777/4885OPRM1 661/4885OPRK1 219/4885

“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.