SCHEMBL13243111

SCHEMBL13243111

CC1CC2CCCCC(C1)N2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.41
CHRM4 P08173 5/20 0.34
CHRM3 P20309 5/20 0.34
CHRM2 P08172 4/20 0.34
CHRM1 P11229 4/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRM5 P08912 2/20 0.34
HRH1 P35367 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTR3A P46098 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
HTR3D Q70Z44 1/20 0.34

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
SCHEMBL16727365 0.94 MAPK1 (0.46) LMNACYP2C9MAPK1CHRM4CHRM3
SCHEMBL14310687 0.94 MAPK1 (0.46) LMNACYP2C9MAPK1CHRM4CHRM3
SCHEMBL6855854 0.94 MAPK1 (0.46) LMNACYP2C9MAPK1CHRM4CHRM3
SCHEMBL25773521 0.94 MAPK1 (0.46) LMNACYP2C9MAPK1CHRM4CHRM3
SCHEMBL16744000 0.94 MAPK1 (0.46) LMNACYP2C9MAPK1CHRM4CHRM3
SCHEMBL23101821 0.88 CYP2C9 (0.57) LMNACYP2C9MAPK1CHRM4CHRM3
SCHEMBL756764 0.88 CYP2C9 (0.57) LMNACYP2C9MAPK1CHRM4CHRM3
SCHEMBL736043 0.88 CYP2C9 (0.57) LMNACYP2C9MAPK1CHRM4CHRM3
SCHEMBL22631620 0.88 CYP2C9 (0.57) LMNACYP2C9MAPK1CHRM4CHRM3
SCHEMBL17399388 0.88 CYP2C9 (0.57) LMNACYP2C9MAPK1CHRM4CHRM3

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 17 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-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-20160272640-A1 SUBSTITUTED PIPERIDIN-4-AMINO-TYPE COMPOUNDS AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2016-09-22 US disclosed
US-9290488-B2 Azetidine-substituted quinoxalines as opioid receptor like-1 modulators PURDUE PHARMA L.P. (US) 2016-03-22 US disclosed
US-9278967-B2 Substituted-quinoxaline-type piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2016-03-08 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-20150315201-A1 INDOLE AND INDOLINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. 2015-11-05 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-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-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2010-08-26 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 (9 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 LMNA 3666/4885CYP2C9 289/4885MAPK1 1040/4885
US-20150011529-A1 AZETIDINE-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF QDPR, P2RX5, P2RX1 LMNA 3151/4885CYP2C9 140/4885MAPK1 2578/4885
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof P2RX4, P2RX5, P2RX3 LMNA 2734/4885CYP2C9 932/4885MAPK1 2831/4885
US-20140187535-A1 SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF H1-0, H1-3, CACNA1A LMNA 1058/4885CYP2C9 370/4885MAPK1 2772/4885
US-20160272640-A1 SUBSTITUTED PIPERIDIN-4-AMINO-TYPE COMPOUNDS AND USES THEREOF OPRD1, OPRL1, P2RX4 LMNA 1479/4885CYP2C9 679/4885MAPK1 4053/4885
US-20150322066-A1 SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF H1-0, H1-3, CACNA1A LMNA 1058/4885CYP2C9 370/4885MAPK1 2772/4885
US-20140128346-A1 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF P2RX4, P2RX1, P2RX5 LMNA 2288/4885CYP2C9 704/4885MAPK1 1098/4885
US-20160002203-A1 QUINAZOLIN-4(3H)-ONE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF OPRK1, OPRD1, P2RX4 LMNA 2413/4885CYP2C9 355/4885MAPK1 3313/4885
US-20150315201-A1 INDOLE AND INDOLINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF IDO1, IDO2, TPH2 LMNA 4259/4885CYP2C9 644/4885MAPK1 3673/4885

“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.