SCHEMBL962777

SCHEMBL962777

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.36
GABRR1 P24046 1/20 0.36
CYP2D6 P10635 3/20 0.34
CYP1A2 P05177 3/20 0.34
ALOX15 P16050 3/20 0.34
HSD11B1 P28845 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
TSHR P16473 3/20 0.33
PMP22 Q01453 2/20 0.33
APLNR P35414 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 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
SCHEMBL15466223 1.00 CYP2C19 (0.36) CYP2C19GABRR1CYP2D6CYP1A2ALOX15
SCHEMBL1154497 1.00 CYP2C19 (0.36) CYP2C19GABRR1CYP2D6CYP1A2ALOX15
SCHEMBL15858213 1.00 CYP2C19 (0.36) CYP2C19GABRR1CYP2D6CYP1A2ALOX15
SCHEMBL962778 1.00 CYP2C19 (0.36) CYP2C19GABRR1CYP2D6CYP1A2ALOX15
SCHEMBL15847457 1.00 CYP2C19 (0.36) CYP2C19GABRR1CYP2D6CYP1A2ALOX15
SCHEMBL15847455 1.00 CYP2C19 (0.36) CYP2C19GABRR1CYP2D6CYP1A2ALOX15
SCHEMBL1154498 1.00 CYP2C19 (0.36) CYP2C19GABRR1CYP2D6CYP1A2ALOX15
SCHEMBL15847453 1.00 CYP2C19 (0.36) CYP2C19GABRR1CYP2D6CYP1A2ALOX15
SCHEMBL3466954 0.89 CYP2C19 (0.43) CYP2C19GABRR1CYP2D6CYP1A2ALOX15
SCHEMBL871716 0.83

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 23 patents — showing the first 20. 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
EP-2024349-B1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2017-08-02 EP 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
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-9040533-B2 Oxime-substituted-quinoxaline-type piperidine compounds as ORL-1 modulators PURDUE PHARMA L.P. (US) 2015-05-26 US disclosed
US-9006275-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2015-04-14 US disclosed
US-20150011529-A1 AZETIDINE-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. 2015-01-08 US disclosed
US-20140187535-A1 SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2014-07-03 US disclosed
US-20140187544-A1 OXIME-SUBSTITUTED-QUINOXALINE-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
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-04-14 US disclosed
US-7875639-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBOTT LABORATORIES (US) 2011-01-25 US disclosed
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection ABBVIE INC. 2008-03-13 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 (10 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 CYP2C19 728/4885GABRR1 198/4885CYP2D6 166/4885
US-20150011529-A1 AZETIDINE-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF QDPR, P2RX5, P2RX1 CYP2C19 134/4885GABRR1 222/4885CYP2D6 170/4885
US-20140187535-A1 SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF H1-0, H1-3, CACNA1A CYP2C19 344/4885GABRR1 333/4885CYP2D6 462/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CYP2C19 300/4885GABRR1 424/4885CYP2D6 289/4885
US-20140045830-A1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF QPCT, UBXN1, NQO2 CYP2C19 788/4885GABRR1 1351/4885CYP2D6 919/4885
US-20150322066-A1 SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF H1-0, H1-3, CACNA1A CYP2C19 344/4885GABRR1 333/4885CYP2D6 462/4885
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection OPRL1, OPRK1, OPRD1 CYP2C19 1036/4885GABRR1 1447/4885CYP2D6 520/4885
US-20140128346-A1 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF P2RX4, P2RX1, P2RX5 CYP2C19 508/4885GABRR1 1309/4885CYP2D6 1177/4885
US-20160002203-A1 QUINAZOLIN-4(3H)-ONE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF OPRK1, OPRD1, P2RX4 CYP2C19 194/4885GABRR1 344/4885CYP2D6 303/4885
US-20140187544-A1 OXIME-SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF QSOX1, OPRK1, OPRD1 CYP2C19 156/4885GABRR1 602/4885CYP2D6 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.