SCHEMBL880431

SCHEMBL880431

O=C(O)c1nc2ccccc2n([C@H]2C[C@H]3CC[C@@H](C2)N3C2C=CCCC2)c1=O

nearest known ligand 0.94

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 20/20 0.94
OPRM1 P35372 17/20 0.89
OPRK1 P41145 17/20 0.89
OPRD1 P41143 14/20 0.89
OPRL1 P41146 4/20 0.71

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
SCHEMBL852201 0.97 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL852202 0.97 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL880509 0.97 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL852286 0.96 OGFRL1 (0.98) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL21548013 0.96 OGFRL1 (0.98) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL852285 0.96 OGFRL1 (0.98) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL880410 0.94 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL880416 0.93 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL16727943 0.91 OGFRL1 (0.79) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL880620 0.88 OGFRL1 (0.84) OGFRL1OPRM1OPRK1OPRD1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 EP disclosed
US-9527840-B2 Substituted-quinoxaline-type piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2016-12-27 US disclosed
EP-3101018-A1 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma L.P. (US) 2016-12-07 EP disclosed
EP-2433937-B1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof PURDUE PHARMA LP (US) 2016-06-29 EP disclosed
US-20160159785-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2016-06-09 US disclosed
US-9278967-B2 Substituted-quinoxaline-type piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2016-03-08 US disclosed
US-20150141643-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2015-05-21 US disclosed
EP-2433936-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP disclosed
EP-2433937-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP disclosed
EP-2433935-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP disclosed
WO-2009027820-A2 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (DE) 2009-03-05 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 (2 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-20160159785-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF P2RX4, P2RX5, P2RX3 OGFRL1 2120/4885OPRM1 25/4885OPRK1 6/4885
US-20150141643-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF P2RX4, P2RX5, P2RX3 OGFRL1 2120/4885OPRM1 25/4885OPRK1 6/4885

“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.