SCHEMBL1270071

SCHEMBL1270071

CN1C(=O)CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 19/20 1.00
OPRM1 P35372 18/20 0.70
OPRK1 P41145 16/20 0.70
OPRD1 P41143 3/20 0.62
OGFRL1 Q5TC84 1/20 0.58

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
SCHEMBL550284 0.92 OPRL1 (0.84) OPRL1OPRM1OPRK1OPRD1OGFRL1
SCHEMBL4546475 0.89 OPRL1 (0.80) OPRL1OPRM1OPRK1OPRD1OGFRL1
SCHEMBL15794608 0.82 OPRM1 (1.00) OPRL1OPRM1OPRK1OPRD1OGFRL1
SCHEMBL30455750 0.82 OPRM1 (1.00) OPRL1OPRM1OPRK1OPRD1OGFRL1
SCHEMBL4546486 0.80 OPRL1 (0.66) OPRL1OPRM1OPRK1OPRD1OGFRL1
SCHEMBL550242 0.77 OPRL1 (0.63) OPRL1OPRM1OPRK1OPRD1OGFRL1
SCHEMBL1271622 0.77 OPRL1 (1.00) OPRL1OPRM1OPRK1OPRD1OGFRL1
SCHEMBL3872453 0.76 OPRM1 (1.00) OPRL1OPRM1OPRK1OPRD1OGFRL1
SCHEMBL13221443 0.75 OPRL1 (0.60) OPRL1OPRM1OPRK1OPRD1OGFRL1
SCHEMBL15495155 0.74 OPRL1 (0.58) OPRL1OPRM1OPRK1OPRD1OGFRL1

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 20 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
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-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
US-20120108575-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2012-05-03 US disclosed
US-20120108575-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2012-05-03 US disclosed
US-8110602-B2 Compounds comprising heterocyclic-substituted piperidine for treating pain PURDUE PHARMA L.P. (US) 2012-02-07 US 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-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-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
EP-2076506-B1 HETEROCYCLIC-SUBSTITUTED PIPERIDINES AS ORL-1 LIGANDS PURDUE PHARMA LP (US) 2010-09-22 EP disclosed
US-20100022519-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2010-01-28 US disclosed
US-20100022519-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2010-01-28 US 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 (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-20100022519-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF TRPV1, P2RX4, TRPA1 OPRL1 6/4885OPRM1 17/4885OPRK1 9/4885
US-20120108575-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF TRPV1, P2RX4, TRPA1 OPRL1 6/4885OPRM1 17/4885OPRK1 9/4885

“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.