SCHEMBL12436684

SCHEMBL12436684

O/N=C1/C[C@H]2CCC[C@@H](C1)N2[C@H]1C[C@@H]2CCC[C@@H](C2)C1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 18/20 0.39
OPRL1 P41146 17/20 0.39
OPRK1 P41145 12/20 0.39
OPRM1 P35372 11/20 0.39
OPRD1 P41143 9/20 0.39

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
SCHEMBL1846733 1.00 OGFRL1 (0.39) OGFRL1OPRL1OPRK1OPRM1OPRD1
SCHEMBL15858210 1.00 OGFRL1 (0.39) OGFRL1OPRL1OPRK1OPRM1OPRD1
SCHEMBL15466790 1.00 OGFRL1 (0.39) OGFRL1OPRL1OPRK1OPRM1OPRD1
SCHEMBL852148 1.00 OGFRL1 (0.39) OGFRL1OPRL1OPRK1OPRM1OPRD1
SCHEMBL15466791 1.00 OGFRL1 (0.39) OGFRL1OPRL1OPRK1OPRM1OPRD1
SCHEMBL16743555 1.00 OGFRL1 (0.39) OGFRL1OPRL1OPRK1OPRM1OPRD1
SCHEMBL15853790 0.98 OGFRL1 (0.39) OGFRL1OPRL1OPRK1OPRM1OPRD1
SCHEMBL15466771 0.98 OGFRL1 (0.39) OGFRL1OPRL1OPRK1OPRM1OPRD1
SCHEMBL17414059 0.98 OGFRL1 (0.39) OGFRL1OPRL1OPRK1OPRM1OPRD1
SCHEMBL15466770 0.98 OGFRL1 (0.39) OGFRL1OPRL1OPRK1OPRM1OPRD1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148449-A1 Substituted-Quinoxaline-Type Bridged-Piperidine Compounds and the Uses Thereof PURDUE PHARMA L.P. 2018-05-31 US 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-9890164-B2 Substituted-quinoxaline-type bridged-piperidine compounds as ORL-1 modulators PURDUE PHARMA, L.P. (US) 2018-02-13 US disclosed
US-9890164-B2 Substituted-quinoxaline-type bridged-piperidine compounds as ORL-1 modulators PURDUE PHARMA, L.P. (US) 2018-02-13 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
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-20140187535-A1 SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2014-07-03 US disclosed
WO-2014102594-A2 SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. (US) 2014-07-03 WO disclosed
US-20140128346-A1 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. (US) 2014-05-08 US disclosed
US-20130274265-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2013-10-17 US disclosed
US-20130274265-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2013-10-17 US disclosed
US-8476271-B2 Substituted-quinoxaline-type bridged-piperidine compounds as ORL-1 modulators PURDUE PHARMA, L.P. (US) 2013-07-02 US disclosed
US-8476271-B2 Substituted-quinoxaline-type bridged-piperidine compounds as ORL-1 modulators PURDUE PHARMA, L.P. (US) 2013-07-02 US disclosed
WO-2013080036-A1 AZETIDINE-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. (US) 2013-06-06 WO disclosed
US-20110178090-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2011-07-21 US disclosed
US-20110178090-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2011-07-21 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 (5 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-20130274265-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF OPRK1, OPRD1, P2RX4 OGFRL1 675/4885OPRL1 4/4885OPRK1 1/4885
US-20140187535-A1 SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF H1-0, H1-3, CACNA1A OGFRL1 2889/4885OPRL1 181/4885OPRK1 27/4885
US-20110178090-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF OPRK1, OPRD1, P2RX4 OGFRL1 675/4885OPRL1 4/4885OPRK1 1/4885
US-20140128346-A1 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF P2RX4, P2RX1, P2RX5 OGFRL1 1431/4885OPRL1 71/4885OPRK1 51/4885
US-20180148449-A1 Substituted-Quinoxaline-Type Bridged-Piperidine Compounds and the Uses Thereof P2RX4, OPRK1, QDPR OGFRL1 2319/4885OPRL1 10/4885OPRK1 2/4885

“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.