SCHEMBL12728512

SCHEMBL12728512

COc1nc(C)c(-c2ccc(F)cc2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.46
F2RL3 Q96RI0 1/20 0.46
PTGS2 P35354 3/20 0.40
APP P05067 2/20 0.40
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38

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
SCHEMBL13201797 0.81 F2RL3 (0.50) F2RL3KDM4EMEN1MAPTKMT2A
SCHEMBL320589 0.78 PTGS2 (0.54) ALOX5PTGS2APPALDH1A1RAB9A
SCHEMBL16806041 0.78 ALOX5 (0.78) ALOX5PTGS2APPALDH1A1NPC1
SCHEMBL16806020 0.77 ALOX5 (0.58) ALOX5PTGS2APPALDH1A1NPC1
SCHEMBL4042164 0.77 PTGS2 (0.42) ALOX5PTGS2APPALDH1A1NPC1
SCHEMBL330449 0.75 MAPT (0.53) ALOX5PTGS2ALDH1A1NPC1RAB9A
SCHEMBL16805998 0.74 ALOX5 (0.49) ALOX5PTGS2ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8084337 0.73 ALOX5 (0.41) ALOX5ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6686617 0.73 SQOR (0.42) F2RL3NPC1RAB9AMEN1KMT2A
SCHEMBL4804455 0.72 CDK2 (0.76) CDK2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928124-B2 N-aroyl cyclic amine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM LIMITED (GB) 2011-04-19 US disclosed
US-7928125-B2 N-aroyl cyclic amine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM LIMITED (GB) 2011-04-19 US disclosed
US-7919507-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2011-04-05 US disclosed
US-7897618-B2 N-aroyl cyclic amine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM LIMITED (GB) 2011-03-01 US disclosed
US-7893090-B2 N-aroyl cyclic amine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM LIMITED (GB) 2011-02-22 US disclosed
US-7741329-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2010-06-22 US disclosed
US-20090093478-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.I.C. 2009-04-09 US disclosed
US-20090036442-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. 2009-02-05 US disclosed
US-20090029986-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-29 US disclosed
US-20090012083-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. 2009-01-08 US disclosed
US-20090012122-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. 2009-01-08 US disclosed
US-20090012073-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-08 US disclosed
US-7470710-B2 N-aroyl cyclic amine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 2008-12-30 US disclosed
US-20080318944-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. 2008-12-25 US disclosed
US-7432270-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM P.L.C. (GB) 2008-10-07 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 (7 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-20090012122-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR ALOX5 1153/4885F2RL3 928/4885PTGS2 2548/4885
US-20090012073-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB ALOX5 1307/4885F2RL3 2114/4885PTGS2 2253/4885
US-20080318944-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR ALOX5 1153/4885F2RL3 928/4885PTGS2 2548/4885
US-20090093478-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB ALOX5 1307/4885F2RL3 2114/4885PTGS2 2253/4885
US-20090012083-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR ALOX5 1153/4885F2RL3 928/4885PTGS2 2548/4885
US-20090036442-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR ALOX5 1153/4885F2RL3 928/4885PTGS2 2548/4885
US-20090029986-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB ALOX5 1307/4885F2RL3 2114/4885PTGS2 2253/4885

“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.