SCHEMBL1596743

SCHEMBL1596743

N#Cc1cc(F)c(N[C@H](C(=O)c2n[nH]cc2-c2ccc(F)cc2)C2CCCCN2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
SCN9A Q15858 1/20 0.32
HTR7 P34969 1/20 0.32
CTSK P43235 1/20 0.31
CTSC P53634 1/20 0.31
KCNH2 Q12809 1/20 0.31
KDM1A O60341 1/20 0.31

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
SCHEMBL1597835 0.84 CSNK1D (0.35) CTSC
SCHEMBL1597369 0.83 KISS1R (0.32) CHRM3
SCHEMBL1598724 0.82 CHRM3 (0.33) CHRM3SCN9A
SCHEMBL6885164 0.82 HCRTR1 (0.42)
SCHEMBL6885170 0.82 HCRTR1 (0.42)
SCHEMBL1597966 0.82 HCRTR1 (0.42)
SCHEMBL1598899 0.79 HCRTR1 (0.43)
SCHEMBL1596740 0.72 HCRTR1 (0.43) KCNH2
SCHEMBL1597869 0.72 HCRTR1 (0.39)
SCHEMBL1597174 0.72 CSNK1D (0.35) CTSCKCNH2

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 CHRM3 87/4885CHRM2 90/4885CHRM1 136/4885
US-20090093478-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB CHRM3 87/4885CHRM2 90/4885CHRM1 136/4885
US-20090029986-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB CHRM3 87/4885CHRM2 90/4885CHRM1 136/4885

“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.