SCHEMBL7945899

SCHEMBL7945899

Cc1nc(N(C)C)sc1-c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.40
PTGS2 P35354 6/20 0.39
ALOX5 P09917 2/20 0.37
PDPK1 O15530 1/20 0.35
MEN1 O00255 3/20 0.35
RAB9A P51151 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GFER P55789 1/20 0.35
FLT3 P36888 1/20 0.34
MKNK1 Q9BUB5 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
SCHEMBL2632547 0.82 ALDH1A1 (0.51) ALOX5MEN1RAB9AKMT2AALDH1A1
SCHEMBL14850867 0.81 GPR52 (0.37) PTGS2MEN1RAB9AKMT2ANPC1
SCHEMBL14850865 0.81 NISCH (0.40) APPPTGS2FLT3MKNK1MKNK2
SCHEMBL2632548 0.81 CA12 (0.42) MEN1KMT2AMAPTGAAKDM4E
SCHEMBL320589 0.78 PTGS2 (0.54) APPPTGS2ALOX5PDPK1MEN1
SCHEMBL7946068 0.78 MAPT (0.40) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL16806020 0.77 ALOX5 (0.58) APPPTGS2ALOX5RAB9AALDH1A1
SCHEMBL4042164 0.77 PTGS2 (0.42) APPPTGS2ALOX5PDPK1MEN1
SCHEMBL984151 0.76 MAPK14 (0.41) APPPTGS2ALOX5MEN1RAB9A
SCHEMBL12728713 0.76 PTGS2 (0.40) APPPTGS2ALOX5LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040966-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2021-06-22 US disclosed
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-08-29 US disclosed
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 US disclosed
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 US disclosed
US-9732075-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-15 US disclosed
US-9732075-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-15 US disclosed
EP-2855453-B1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-12-07 EP disclosed
US-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-18 US disclosed
US-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-18 US disclosed
WO-2013050938-A1 3,7-DIAZABICYCLO[3.3.1]NONANE AND 9-OXA-3,7-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-04-11 WO 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-20090012073-A1 N-AROYL CYCLIC AMINES 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-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
EP-1956020-A2 1-[2-(heterocyclyl-aminomethyl)-piperidin-1-YL]-1-(2-methyl-5-phenyl-heterocyclyl)-methanone derivatives and related compounds as orexin-1 antagonists for the treatment of obesity SMITHKLINE BEECHAM PLC (GB) 2008-08-13 EP disclosed
EP-1385845-B1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM PLC (GB) 2008-01-09 EP 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-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R APP 640/4885PTGS2 2781/4885ALOX5 3360/4885
US-20090012122-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR APP 492/4885PTGS2 2548/4885ALOX5 1153/4885
US-20090012073-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB APP 2282/4885PTGS2 2253/4885ALOX5 1307/4885
US-20080318944-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR APP 492/4885PTGS2 2548/4885ALOX5 1153/4885
US-20090012083-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR APP 492/4885PTGS2 2548/4885ALOX5 1153/4885
US-20090036442-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR APP 492/4885PTGS2 2548/4885ALOX5 1153/4885
US-11040966-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R APP 664/4885PTGS2 2480/4885ALOX5 3410/4885
US-20090029986-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB APP 2282/4885PTGS2 2253/4885ALOX5 1307/4885
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R APP 664/4885PTGS2 2480/4885ALOX5 3410/4885
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R APP 664/4885PTGS2 2480/4885ALOX5 3410/4885

“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.