SCHEMBL854083

SCHEMBL854083

Nc1cccc(C2CC3CCCC(C2)N3C2CCCCCCC2)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.37
OPRK1 P41145 9/20 0.37
OPRL1 P41146 4/20 0.37
KCNH2 Q12809 1/20 0.37
OPRD1 P41143 7/20 0.36
LMNA P02545 1/20 0.34
SLC18A3 Q16572 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
OGFRL1 Q5TC84 6/20 0.33
CYP2D6 P10635 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
USP2 O75604 1/20 0.32
HTR2B P41595 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
CYP2C19 P33261 1/20 0.32
ABCB1 P08183 1/20 0.31

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
SCHEMBL15845196 1.00 OPRM1 (0.37) OPRM1OPRK1OPRL1KCNH2OPRD1
SCHEMBL15847563 1.00 OPRM1 (0.37) OPRM1OPRK1OPRL1KCNH2OPRD1
SCHEMBL15845198 1.00 OPRM1 (0.37) OPRM1OPRK1OPRL1KCNH2OPRD1
SCHEMBL851920 0.97 OPRM1 (0.40) OPRM1OPRK1OPRL1KCNH2OPRD1
SCHEMBL551330 0.97 OPRM1 (0.40) OPRM1OPRK1OPRL1KCNH2OPRD1
SCHEMBL550182 0.97 OPRM1 (0.40) OPRM1OPRK1OPRL1KCNH2OPRD1
SCHEMBL1849778 0.97 OPRM1 (0.40) OPRM1OPRK1OPRL1KCNH2OPRD1
SCHEMBL550181 0.97 OPRM1 (0.40) OPRM1OPRK1OPRL1KCNH2OPRD1
SCHEMBL15466533 0.89 OGFRL1 (0.38) OPRM1OPRK1OPRL1OPRD1OGFRL1
SCHEMBL15466532 0.89 OGFRL1 (0.38) OPRM1OPRK1OPRL1OPRD1OGFRL1

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 13 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-2086958-B1 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2015-01-14 EP disclosed
US-8846929-B2 Substituted-quinoxaline-type piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2014-09-30 US 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
EP-2433936-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP 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 OPRM1 25/4885OPRK1 6/4885OPRL1 11/4885
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof P2RX4, P2RX5, P2RX3 OPRM1 25/4885OPRK1 6/4885OPRL1 11/4885
US-20150141643-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF P2RX4, P2RX5, P2RX3 OPRM1 25/4885OPRK1 6/4885OPRL1 11/4885

“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.