SCHEMBL551665

SCHEMBL551665

COc1ccc2c(n1)N(C1CCNCC1)C(=O)CC(=O)N2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.63
PIK3CA P42336 3/20 0.37
MTOR P42345 3/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
OPRM1 P35372 6/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 1/20 0.36
ATM Q13315 1/20 0.35
ATR Q13535 1/20 0.35
DDB1 Q16531 2/20 0.34
CRBN Q96SW2 2/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMYD3 Q9H7B4 1/20 0.32

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
SCHEMBL1272256 0.84 OPRL1 (0.78) OPRL1OPRM1OPRD1OPRK1
SCHEMBL10216462 0.79 OPRL1 (0.42) OPRL1HTR2AHTR2CHTR2BOPRM1
SCHEMBL550809 0.78 OPRL1 (1.00) OPRL1OPRM1OPRD1OPRK1
SCHEMBL550810 0.78 OPRL1 (1.00) OPRL1OPRM1OPRD1OPRK1
SCHEMBL586455 0.71 OPRL1 (0.47) OPRL1PIK3CAMTORHTR2AHTR2C
SCHEMBL6073595 0.68 PDE3B (0.44) OPRL1DDB1CRBNPDE3BPDE3A
SCHEMBL334990 0.67 OPRL1 (0.41) OPRL1PIK3CAMTORHTR2AHTR2C
SCHEMBL20996019 0.66 CTSD (0.47) OPRL1PIK3CAMEN1MAPTKMT2A
SCHEMBL29417844 0.66 CTSD (0.47) OPRL1PIK3CAMEN1MAPTKMT2A
SCHEMBL1271732 0.66 OPRL1 (0.78) OPRL1OPRM1OPRD1OPRK1

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 15 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
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-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 6/4885PIK3CA 2000/4885MTOR 1589/4885
US-20120108575-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF TRPV1, P2RX4, TRPA1 OPRL1 6/4885PIK3CA 2000/4885MTOR 1589/4885

“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.