SCHEMBL13242534

SCHEMBL13242534

COC(=O)[C@H]1CC[C@@H](Nc2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)C1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 20/20 0.82
OPRM1 P35372 15/20 0.70
OPRK1 P41145 13/20 0.70
OPRD1 P41143 9/20 0.69

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
SCHEMBL880614 0.90 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL17874952 0.84 OGFRL1 (0.75) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL880327 0.83 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL880591 0.81 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL880811 0.80 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853021 0.80 OGFRL1 (0.89) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL854214 0.80 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL880607 0.80 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL21548032 0.80 OGFRL1 (0.77) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL17561623 0.78 OGFRL1 (0.83) OGFRL1OPRM1OPRK1OPRD1

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-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
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
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2010-08-26 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 (3 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-20100216726-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.