SCHEMBL1255501

SCHEMBL1255501

Cc1nc(C(=O)N2CCCCC2Cc2nc3ccccc3o2)c(-c2ccc(F)cc2)s1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.64
HCRTR2 O43614 15/20 0.64
TSPO P30536 1/20 0.56
OPRK1 P41145 1/20 0.56
HTR2B P41595 1/20 0.56
FFAR4 Q5NUL3 1/20 0.56

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
SCHEMBL6649899 1.00 HCRTR1 (0.64) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1598290 0.87 HCRTR1 (0.78) HCRTR1HCRTR2
SCHEMBL1598292 0.87 HCRTR1 (0.78) HCRTR1HCRTR2
SCHEMBL1778902 0.86 HCRTR1 (0.64) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL6682860 0.85 HCRTR1 (0.64) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1777641 0.85 HCRTR1 (0.64) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1257170 0.85 HCRTR1 (0.61) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1777725 0.85 HCRTR1 (0.63) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1778578 0.85 HCRTR1 (0.77) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1258133 0.85 HCRTR1 (0.62) HCRTR1HCRTR2TSPOOPRK1HTR2B

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-20090012122-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. 2009-01-08 US claimed
US-7470710-B2 N-aroyl cyclic amine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 2008-12-30 US claimed
EP-1399441-B1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2006-07-05 EP claimed
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
EP-1399441-B1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2006-07-05 EP disclosed
US-20040180887-A1 N-aroyl cyclic amine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM LIMITED (GB) 2004-09-16 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 (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 1/4885TSPO 714/4885
US-20090012122-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885TSPO 550/4885
US-20080318944-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885TSPO 550/4885
US-20090012083-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885TSPO 550/4885
US-20090036442-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885TSPO 550/4885

“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.