SCHEMBL1597866

SCHEMBL1597866

Cn1cc(-c2ccc(F)cc2)c(C(=O)N2CCCC[C@H]2CNc2ccc(C#N)cn2)n1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.54
DPP4 P27487 4/20 0.48
DPP8 Q6V1X1 2/20 0.48
DPP7 Q9UHL4 2/20 0.48
CYP2D6 P10635 1/20 0.48
DPP9 Q86TI2 1/20 0.48
HCRTR2 O43614 4/20 0.45
CCNK O75909 1/20 0.41
CDK12 Q9NYV4 1/20 0.41

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
SCHEMBL1597240 0.91 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1597171 0.89 HCRTR1 (0.44) HCRTR1DPP4DPP8DPP7CYP2D6
SCHEMBL1597936 0.89 HCRTR1 (0.52) HCRTR1DPP4DPP8DPP7CYP2D6
SCHEMBL1597833 0.86 HCRTR1 (0.42) HCRTR1DPP4DPP8DPP7CYP2D6
SCHEMBL1597531 0.85 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL1597529 0.85 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL1598612 0.84 CYP2D6 (0.50) HCRTR1DPP4DPP8DPP7CYP2D6
SCHEMBL1597119 0.82 CYP2D6 (0.49) HCRTR1DPP4DPP8DPP7CYP2D6
SCHEMBL1596657 0.81 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1596655 0.81 HCRTR1 (0.55) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012073-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-08 US claimed
EP-1385845-B1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM PLC (GB) 2008-01-09 EP claimed
US-7919507-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2011-04-05 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-20090029986-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-29 US disclosed
US-20090012073-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-08 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

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-20090012073-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB HCRTR1 417/4885DPP4 3346/4885DPP8 3723/4885
US-20090093478-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB HCRTR1 417/4885DPP4 3346/4885DPP8 3723/4885
US-20090029986-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB HCRTR1 417/4885DPP4 3346/4885DPP8 3723/4885

“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.