SCHEMBL4546358

SCHEMBL4546358

C=C1C(=O)Nc2ncccc2N1C1CCN(C2CCCCCCC2)CC1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.69
OPRL1 P41146 14/20 0.69
OPRD1 P41143 6/20 0.69
OPRK1 P41145 10/20 0.49
OGFRL1 Q5TC84 3/20 0.49
ALDH1A1 P00352 1/20 0.41
DRD4 P21917 2/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL1269815 0.82 OPRL1 (1.00) OPRM1OPRL1OPRD1OPRK1OGFRL1
SCHEMBL10216610 0.81 OPRL1 (0.67) OPRM1OPRL1OPRD1OPRK1OGFRL1
SCHEMBL4546499 0.68 OPRL1 (0.78) OPRM1OPRL1OPRD1OPRK1OGFRL1
SCHEMBL550284 0.67 OPRL1 (0.84) OPRM1OPRL1OPRD1OPRK1OGFRL1
SCHEMBL16372421 0.66 OPRM1 (0.52) OPRM1OPRL1OPRD1OPRK1OGFRL1
SCHEMBL1272305 0.66 OPRL1 (0.70) OPRM1OPRL1OPRD1OPRK1OGFRL1
SCHEMBL853891 0.66 OPRM1 (1.00) OPRM1OPRL1OPRD1OPRK1OGFRL1
SCHEMBL4546475 0.66 OPRL1 (0.80) OPRM1OPRL1OPRD1OPRK1OGFRL1
SCHEMBL4546351 0.65 OPRL1 (0.50) OPRM1OPRL1OPRD1OPRK1OGFRL1
SCHEMBL7741794 0.65 ALDH1A1 (0.45) OPRM1OPRL1OPRD1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 OPRM1 17/4885OPRL1 6/4885OPRD1 16/4885
US-20120108575-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF TRPV1, P2RX4, TRPA1 OPRM1 17/4885OPRL1 6/4885OPRD1 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.