SCHEMBL15466878

SCHEMBL15466878

O=C(O)[C@@H]1C[C@H]2C=CC[C@H](C2)C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.46
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 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
SCHEMBL19860333 1.00 ABAT (0.46) ABATCYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL1848855 1.00 ABAT (0.46) ABATCYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL20201900 1.00 ABAT (0.46) ABATCYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL14791315 1.00 ABAT (0.46) ABATCYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL698731 1.00 ABAT (0.46) ABATCYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL698732 1.00 ABAT (0.46) ABATCYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL698234 0.78 ABAT (0.33) ABAT
SCHEMBL375674 0.78
SCHEMBL14211851 0.74
SCHEMBL15466503 0.70

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-2880033-B1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2020-06-17 EP disclosed
US-9951038-B2 Quinazolin-4(3H)-one-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2018-04-24 US disclosed
US-9598447-B2 Phosphorus-substituted quinoxaline-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2017-03-21 US disclosed
US-9598411-B2 Substituted benzimidazole-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2017-03-21 US disclosed
EP-2654751-B1 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA LP (US) 2016-11-23 EP disclosed
EP-2797912-B1 AZETIDINE-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA LP (US) 2016-05-25 EP disclosed
US-9290488-B2 Azetidine-substituted quinoxalines as opioid receptor like-1 modulators PURDUE PHARMA L.P. (US) 2016-03-22 US disclosed
US-20160002203-A1 QUINAZOLIN-4(3H)-ONE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF TADESSE DAWIT (US) 2016-01-07 US disclosed
US-20150322066-A1 SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. 2015-11-12 US disclosed
US-20150238485-A1 OXIME-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AS ORL-1 MODULATORS SHIONOGI & CO., LTD. (JP) 2015-08-27 US disclosed
US-9090618-B2 Substituted benzimidazole-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2015-07-28 US disclosed
US-9085561-B2 Cyclic urea- or lactam-substituted quinoxaline-type piperidines as ORL-1 modulators PURDUE PHARMA L.P. (US) 2015-07-21 US disclosed
US-9040533-B2 Oxime-substituted-quinoxaline-type piperidine compounds as ORL-1 modulators PURDUE PHARMA L.P. (US) 2015-05-26 US disclosed
US-20150011529-A1 AZETIDINE-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. 2015-01-08 US disclosed
US-20140187544-A1 OXIME-SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2014-07-03 US disclosed
US-20140187535-A1 SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2014-07-03 US disclosed
US-20140128346-A1 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. (US) 2014-05-08 US disclosed
US-20140045830-A1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2014-02-13 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 (8 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-20150238485-A1 OXIME-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AS ORL-1 MODULATORS OPRL1, OGFRL1, OPRD1 ABAT 2972/4885CYP1A2 212/4885CYP2D6 166/4885
US-20150011529-A1 AZETIDINE-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF QDPR, P2RX5, P2RX1 ABAT 2557/4885CYP1A2 254/4885CYP2D6 170/4885
US-20140187535-A1 SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF H1-0, H1-3, CACNA1A ABAT 178/4885CYP1A2 499/4885CYP2D6 462/4885
US-20140045830-A1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF QPCT, UBXN1, NQO2 ABAT 1322/4885CYP1A2 1147/4885CYP2D6 919/4885
US-20150322066-A1 SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF H1-0, H1-3, CACNA1A ABAT 178/4885CYP1A2 499/4885CYP2D6 462/4885
US-20140128346-A1 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF P2RX4, P2RX1, P2RX5 ABAT 2643/4885CYP1A2 1515/4885CYP2D6 1177/4885
US-20160002203-A1 QUINAZOLIN-4(3H)-ONE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF OPRK1, OPRD1, P2RX4 ABAT 2374/4885CYP1A2 316/4885CYP2D6 303/4885
US-20140187544-A1 OXIME-SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF QSOX1, OPRK1, OPRD1 ABAT 2034/4885CYP1A2 127/4885CYP2D6 79/4885

“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.