SCHEMBL4546408

SCHEMBL4546408

CCOC(=O)Cn1c(=O)c(=O)n(C2CCN(C3CCCCCCC3)CC2)c2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.71
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
OPRM1 P35372 14/20 0.61
OPRK1 P41145 11/20 0.61
OGFRL1 Q5TC84 9/20 0.61
OPRD1 P41143 8/20 0.61
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49

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
SCHEMBL10216364 0.86 OPRL1 (0.74) OPRL1OPRM1OPRK1OGFRL1OPRD1
SCHEMBL1271715 0.83 OPRL1 (1.00) OPRL1OPRM1OPRK1OGFRL1OPRD1
SCHEMBL4550229 0.81 OPRL1 (0.67) OPRL1OPRM1OPRK1OGFRL1OPRD1
SCHEMBL6580308 0.79 OPRL1 (0.58) OPRL1ALDH1A1KDM4EL3MBTL1OPRM1
SCHEMBL12028178 0.79 OPRL1 (0.77) OPRL1OPRM1OPRK1OGFRL1OPRD1
SCHEMBL6585473 0.78 OPRL1 (0.72) OPRL1ALDH1A1KDM4EL3MBTL1OPRM1
SCHEMBL13221987 0.76 OGFRL1 (1.00) OPRM1OPRK1OGFRL1OPRD1
SCHEMBL551174 0.76 OPRM1 (1.00) OPRL1OPRM1OPRK1OGFRL1OPRD1
SCHEMBL1270574 0.76 OPRL1 (0.72) OPRL1OPRM1OPRK1OGFRL1OPRD1
SCHEMBL852981 0.76 OGFRL1 (1.00) OPRM1OPRK1OGFRL1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20120108575-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2012-05-03 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

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-20120108575-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF TRPV1, P2RX4, TRPA1 OPRL1 6/4885ALDH1A1 328/4885KDM4E 2037/4885

“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.