SCHEMBL607939

SCHEMBL607939

Cc1ccc(-c2nc(C)no2)c(C=O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.43
ACHE P22303 1/20 0.40
NPC1 O15118 7/20 0.39
RAB9A P51151 7/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
KDM4E B2RXH2 3/20 0.39
TP53 P04637 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 3/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
S100A4 P26447 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
PDK2 Q15119 1/20 0.35

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
SCHEMBL610602 0.84 OPRK1 (0.43) OPRK1ACHENPC1RAB9ASMN1; SMN2
SCHEMBL9955877 0.77 KDM4E (0.44) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL2495796 0.74 PDE4B (0.38) S100A4
SCHEMBL20135913 0.73 BRD4 (0.38) NPC1RAB9ASMN1; SMN2TP53S100A4
SCHEMBL2488705 0.73 HCRTR1 (0.41) S100A4HCRTR1HCRTR2
SCHEMBL609369 0.73 KMT2A (0.47) OPRK1ACHENPC1RAB9AKDM4E
SCHEMBL1956754 0.72 KMT2A (0.49) ACHENPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17150192 0.71 KDM4E (0.47) OPRK1ACHENPC1RAB9ASMN1; SMN2
SCHEMBL1958809 0.71 MAPT (0.44) OPRK1ACHENPC1RAB9ASMN1; SMN2
SCHEMBL9953968 0.69 S100A4 (0.39) MAPTS100A4

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-2421850-A1 3 -AZABICYCLO [4.1.0]HEPTANES USED AS OREXIN ANTAGONISTS Glaxo Group Limited (GB) 2012-02-29 EP disclosed
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 US disclosed
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 US disclosed
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 US disclosed
EP-2379550-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS Glaxo Group Limited (GB) 2011-10-26 EP disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 US disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 US disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 US disclosed
EP-2370426-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL]METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF Glaxo Group Limited (GB) 2011-10-05 EP disclosed
WO-2010122151-A1 3 -AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
WO-2010122151-A1 3 -AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
WO-2010072722-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-07-01 WO disclosed
WO-2010072722-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-07-01 WO disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 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 (3 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-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, VIPR2 OPRK1 37/4885ACHE 3662/4885NPC1 1301/4885
US-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B OPRK1 53/4885ACHE 260/4885NPC1 139/4885
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R OPRK1 41/4885ACHE 2379/4885NPC1 1031/4885

“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.