SCHEMBL880580

SCHEMBL880580

CCCCOC(=O)C1(N2CCC(n3c(=O)c(=O)[nH]c4ccccc43)CC2)CCCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.52
OPRK1 P41145 8/20 0.52
OPRL1 P41146 6/20 0.52
OPRD1 P41143 5/20 0.52
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PMP22 Q01453 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CHRM1 P11229 4/20 0.45
CHRM2 P08172 3/20 0.45
CHRM4 P08173 3/20 0.45
CHRM3 P20309 3/20 0.45
CHRM5 P08912 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
OGFRL1 Q5TC84 3/20 0.43
PLD1 Q13393 2/20 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
SCHEMBL550752 0.86 OPRM1 (0.53) OPRM1OPRK1OPRL1OPRD1CHRM1
SCHEMBL14981235 0.85 OPRL1 (0.46) OPRM1OPRK1OPRL1OPRD1ALDH1A1
SCHEMBL3948931 0.84 OPRM1 (0.63) OPRM1OPRK1OPRL1OPRD1ALDH1A1
SCHEMBL10270656 0.81 OPRM1 (0.53) OPRM1OPRK1OPRL1OPRD1ALDH1A1
SCHEMBL880908 0.81 OPRM1 (0.53) OPRM1OPRK1OPRL1OPRD1OGFRL1
SCHEMBL10289961 0.79 OPRL1 (0.32) OPRM1OPRK1OPRL1OPRD1OGFRL1
SCHEMBL880909 0.78 OGFRL1 (0.72) OPRM1OPRK1OPRL1OPRD1OGFRL1
SCHEMBL880913 0.73 OGFRL1 (0.66) OPRM1OPRK1OPRL1OPRD1OGFRL1
SCHEMBL30910142 0.70 OPRL1 (0.86) OPRM1OPRK1OPRL1OPRD1CHRM1
SCHEMBL880582 0.70 KDM4E (0.43) OPRL1OPRD1ALDH1A1KDM4E

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 22 patents — showing the first 20. 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
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
EP-2397477-B1 Heterocyclic-substituted piperidine compounds and the uses thereof PURDUE PHARMA LP (US) 2014-03-05 EP disclosed
US-8637502-B2 2,3,4,5-tetrahydro-benzo{B}{1,4}diazepine-comprising compounds of formula(III) for treating pain Purde Pharma L.P. (US) 2014-01-28 US disclosed
EP-2280008-B1 HETEROCYCLIC-SUBSTITUTED PIPERIDINES AS ORL-1 LIGANDS PURDUE PHARMA LP (US) 2013-05-29 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-8110602-B2 Compounds comprising heterocyclic-substituted piperidine for treating pain PURDUE PHARMA L.P. (US) 2012-02-07 US disclosed
EP-2397477-A1 Heterocyclic-substituted piperidine compounds and the uses thereof Purdue Pharma LP (US) 2011-12-21 EP disclosed
EP-2280008-A2 Heterocyclic-substituted piperidines as ORL-1 ligands Purdue Pharma L.P. (US) 2011-02-02 EP disclosed
EP-2076506-B1 HETEROCYCLIC-SUBSTITUTED PIPERIDINES AS ORL-1 LIGANDS PURDUE PHARMA LP (US) 2010-09-22 EP disclosed
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2010-08-26 US disclosed
US-20100022519-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2010-01-28 US disclosed
WO-2009027820-A2 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (DE) 2009-03-05 WO disclosed
WO-2008089201-A2 HETEROCYCLIC-SUBSTITUTED PIPERIDINE AS ORL-1 LIGANDS PURDUE PHARMA L.P. (US) 2008-07-24 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 (4 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-20100022519-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF TRPV1, P2RX4, TRPA1 OPRM1 17/4885OPRK1 9/4885OPRL1 6/4885
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.