SCHEMBL16368995

SCHEMBL16368995

O=c1c(Cl)nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)N2C1CC2CCCCC(C2)C1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 18/20 0.70
OPRM1 P35372 11/20 0.70
OPRK1 P41145 11/20 0.70
OPRL1 P41146 8/20 0.70
OPRD1 P41143 6/20 0.70

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
SCHEMBL16917792 1.00 OGFRL1 (0.70) OGFRL1OPRM1OPRK1OPRL1OPRD1
SCHEMBL15004422 0.99 OGFRL1 (0.72) OGFRL1OPRM1OPRK1OPRL1OPRD1
SCHEMBL15004457 0.91 OPRM1 (0.70) OGFRL1OPRM1OPRK1OPRL1OPRD1
SCHEMBL18240336 0.91 OPRM1 (0.70) OGFRL1OPRM1OPRK1OPRL1OPRD1
SCHEMBL18240337 0.91 OPRM1 (0.70) OGFRL1OPRM1OPRK1OPRL1OPRD1
SCHEMBL18240331 0.90 OGFRL1 (0.74) OGFRL1OPRM1OPRK1OPRL1OPRD1
SCHEMBL18645858 0.90 OGFRL1 (0.74) OGFRL1OPRM1OPRK1OPRL1OPRD1
SCHEMBL15680038 0.90 OGFRL1 (0.74) OGFRL1OPRM1OPRK1OPRL1OPRD1
SCHEMBL852958 0.89 OPRM1 (0.70) OGFRL1OPRM1OPRK1OPRL1OPRD1
SCHEMBL21547905 0.89 OPRM1 (0.70) OGFRL1OPRM1OPRK1OPRL1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290488-B2 Azetidine-substituted quinoxalines as opioid receptor like-1 modulators PURDUE PHARMA L.P. (US) 2016-03-22 US disclosed
US-9290488-B2 Azetidine-substituted quinoxalines as opioid receptor like-1 modulators PURDUE PHARMA L.P. (US) 2016-03-22 US disclosed
US-20150011529-A1 AZETIDINE-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. 2015-01-08 US disclosed
US-20150011529-A1 AZETIDINE-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. 2015-01-08 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-20150011529-A1 AZETIDINE-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF QDPR, P2RX5, P2RX1 OGFRL1 1197/4885OPRM1 19/4885OPRK1 7/4885

“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.