SCHEMBL550746

SCHEMBL550746

COc1ccc2c(n1)NC(=O)CC(=O)N2C1CCN(C2C=CCCCCC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 17/20 1.00
OPRM1 P35372 15/20 0.50
OPRD1 P41143 5/20 0.50
OPRK1 P41145 10/20 0.44
OGFRL1 Q5TC84 3/20 0.33

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
SCHEMBL550745 1.00 OPRL1 (1.00) OPRL1OPRM1OPRD1OPRK1OGFRL1
SCHEMBL1271732 0.88 OPRL1 (0.78) OPRL1OPRM1OPRD1OPRK1OGFRL1
SCHEMBL14149768 0.86 OPRL1 (0.75) OPRL1OPRM1OPRD1OPRK1OGFRL1
SCHEMBL550809 0.85 OPRL1 (1.00) OPRL1OPRM1OPRD1OPRK1OGFRL1
SCHEMBL550810 0.85 OPRL1 (1.00) OPRL1OPRM1OPRD1OPRK1OGFRL1
SCHEMBL13177761 0.85 OPRL1 (0.74) OPRL1OPRM1OPRD1OPRK1OGFRL1
SCHEMBL550611 0.75 OPRL1 (0.60) OPRL1OPRM1OPRD1OPRK1
SCHEMBL10216470 0.73 OPRL1 (0.72) OPRL1OPRM1OPRD1OPRK1OGFRL1
SCHEMBL1272256 0.72 OPRL1 (0.78) OPRL1OPRM1OPRD1OPRK1OGFRL1
SCHEMBL1269815 0.67 OPRL1 (1.00) OPRL1OPRM1OPRD1OPRK1OGFRL1

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 9 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
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-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-20100022519-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2010-01-28 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 (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 17/4885OPRD1 16/4885
US-20120108575-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF TRPV1, P2RX4, TRPA1 OPRL1 6/4885OPRM1 17/4885OPRD1 16/4885

“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.