SCHEMBL550618

SCHEMBL550618

CC(C)(C)OC(=O)Nc1ccc(Cl)cc1NC1CCN(C2CCCCCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.46
OPRD1 P41143 3/20 0.46
OGFRL1 Q5TC84 3/20 0.46
OPRK1 P41145 2/20 0.43
ACKR3 P25106 1/20 0.43
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
F10 P00742 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CNR1 P21554 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 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
SCHEMBL549943 0.88 OPRM1 (0.46) OPRM1OPRD1OGFRL1OPRK1ACKR3
SCHEMBL852155 0.86 OPRM1 (0.54) OPRM1OPRD1OGFRL1OPRK1KMT2A
SCHEMBL551787 0.83 KMT2A (0.47) ACKR3KMT2AMEN1F10CYP2D6
Phenylacetic Acid SCHEMBL27769959 0.79 OPRM1 (0.47) OPRM1OPRD1OGFRL1OPRK1KMT2A
SCHEMBL550551 0.77 OPRM1 (0.54) OPRM1OPRD1OGFRL1OPRK1KMT2A
SCHEMBL10216377 0.76 CYP2C19 (0.43) ACKR3KMT2AMEN1F10CYP2D6
SCHEMBL3787046 0.76 KMT2A (0.54) KMT2AMEN1CYP2C19
SCHEMBL15510704 0.76 ACKR3 (0.43) ACKR3KMT2AMEN1F10CYP2D6
SCHEMBL542496 0.74 KMT2A (0.50) OPRM1OPRD1OGFRL1KMT2AMEN1
SCHEMBL13409322 0.73 KMT2A (0.41) KMT2AMEN1CYP2C19

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 18 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
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-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 OPRM1 17/4885OPRD1 16/4885OGFRL1 2795/4885
US-20120108575-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF TRPV1, P2RX4, TRPA1 OPRM1 17/4885OPRD1 16/4885OGFRL1 2795/4885

“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.