SCHEMBL1597799

SCHEMBL1597799

COC(=O)c1cccc(C(=O)N2CCCC[C@H]2CNc2cnc3cc(F)c(F)cc3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HCRTR2 O43614 4/20 0.40
HCRTR1 O43613 2/20 0.40
GYS1 P13807 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL1597800 1.00 RAB9A (0.42) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL1598120 0.91 HCRTR1 (0.42) RAB9ANPC1MEN1KMT2AHCRTR2
SCHEMBL1598123 0.91 HCRTR1 (0.42) RAB9ANPC1MEN1KMT2AHCRTR2
SCHEMBL1597693 0.90 NPC1 (0.42) RAB9ANPC1MEN1KMT2AHCRTR2
SCHEMBL1597688 0.90 NPC1 (0.42) RAB9ANPC1MEN1KMT2AHCRTR2
SCHEMBL5026655 0.88 HSD11B1 (0.41) RAB9ANPC1ALDH1A1HCRTR2HCRTR1
SCHEMBL5026657 0.88 HSD11B1 (0.41) RAB9ANPC1ALDH1A1HCRTR2HCRTR1
SCHEMBL1597734 0.86 POLB (0.46) RAB9ANPC1HCRTR2HCRTR1
SCHEMBL1597740 0.86 POLB (0.46) RAB9ANPC1HCRTR2HCRTR1
SCHEMBL1598723 0.85 NPC1 (0.42) RAB9ANPC1MEN1KMT2AHCRTR2

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
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
US-20040143115-A1 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2004-07-22 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 (4 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 RAB9A 734/4885NPC1 1392/4885MEN1 1089/4885
US-20090093478-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB RAB9A 734/4885NPC1 1392/4885MEN1 1089/4885
US-20090029986-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB RAB9A 734/4885NPC1 1392/4885MEN1 1089/4885
US-20040143115-A1 N-aroyl cyclic amines HCRTR1, HCRTR2, CNR1 RAB9A 3245/4885NPC1 565/4885MEN1 768/4885

“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.