SCHEMBL1255476

SCHEMBL1255476

Cn1cc(-c2ccc(F)cc2)c(C(=O)N2CCC[C@H]2Cc2nc3cc(F)c(F)cc3[nH]2)n1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 18/20 0.43
HCRTR2 O43614 12/20 0.43
NAMPT P43490 1/20 0.39
TSPO P30536 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PRCP P42785 1/20 0.37

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
SCHEMBL1255477 1.00 HCRTR1 (0.43) HCRTR1HCRTR2NAMPTTSPOOPRK1
SCHEMBL1256734 0.98 HCRTR1 (0.41) HCRTR1HCRTR2NAMPTTSPOOPRK1
SCHEMBL5775373 0.86 HCRTR1 (0.38) HCRTR1HCRTR2NAMPTTSPOOPRK1
SCHEMBL1257968 0.84 HCRTR1 (0.40) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1256916 0.84 HCRTR1 (0.39) HCRTR1HCRTR2NAMPTTSPOOPRK1
SCHEMBL1257813 0.84 HCRTR1 (0.41) HCRTR1HCRTR2NAMPTTSPOOPRK1
SCHEMBL1257480 0.83 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL1256839 0.83 HCRTR1 (0.42) HCRTR1HCRTR2NAMPT
SCHEMBL1257477 0.83 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL1776678 0.81 HCRTR1 (0.43) HCRTR1HCRTR2NAMPTTSPOOPRK1

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 13 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-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-20090036442-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. 2009-02-05 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-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
EP-1705179-A1 N-aroyl cyclic amine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM PLC (GB) 2006-09-27 EP disclosed
US-20040180887-A1 N-aroyl cyclic amine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM LIMITED (GB) 2004-09-16 US disclosed
EP-1399441-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-03-24 EP disclosed
WO-2003002561-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2003-01-09 WO 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-20040180887-A1 N-aroyl cyclic amine derivatives as orexin receptor antagonists HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885NAMPT 867/4885
US-20090012122-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885NAMPT 531/4885
US-20080318944-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885NAMPT 531/4885
US-20090012083-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885NAMPT 531/4885
US-20090036442-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885NAMPT 531/4885

“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.