SCHEMBL1596740

SCHEMBL1596740

N#Cc1cc(F)c(NC[C@@H]2CCCCN2C(=O)c2n[nH]cc2-c2ccc(F)cc2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.43
HCRTR2 O43614 11/20 0.43
EGLN1 Q9GZT9 2/20 0.37
PRKAA2 P54646 1/20 0.37
CYP2D6 P10635 1/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
KCNH2 Q12809 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL1597833 0.85 HCRTR1 (0.42) HCRTR1HCRTR2PRKAA2CYP2D6DPP4
SCHEMBL1597365 0.83 HCRTR1 (0.42) HCRTR1HCRTR2CYP2D6DPP4DPP8
SCHEMBL1597962 0.82 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL1598720 0.82 CYP2D6 (0.49) HCRTR1HCRTR2CYP2D6DPP4DPP8
SCHEMBL1598896 0.80 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL1597827 0.79 HCRTR1 (0.47) HCRTR1HCRTR2ALDH1A1
SCHEMBL1597830 0.79 HCRTR1 (0.47) HCRTR1HCRTR2ALDH1A1
SCHEMBL1597453 0.79 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL1597451 0.79 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL1598591 0.76 HCRTR1 (0.44) HCRTR1HCRTR2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029986-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-29 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
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 (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 417/4885HCRTR2 344/4885EGLN1 2893/4885
US-20090093478-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB HCRTR1 417/4885HCRTR2 344/4885EGLN1 2893/4885
US-20090029986-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB HCRTR1 417/4885HCRTR2 344/4885EGLN1 2893/4885

“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.