SCHEMBL4260140

SCHEMBL4260140

O=C(c1ccccc1)N1CCCCC1CNc1ncc(Br)cn1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 6/20 0.48
HCRTR1 O43613 9/20 0.47
HCRTR2 O43614 8/20 0.47
CPB1 P15086 1/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
NAMPT P43490 1/20 0.41
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4260135 1.00 VNN1 (0.48) VNN1HCRTR1HCRTR2CPB1GAA
SCHEMBL1598429 0.86 CYP2D6 (0.43) VNN1HCRTR1HCRTR2
SCHEMBL6922209 0.86 CYP2D6 (0.43) VNN1HCRTR1HCRTR2
SCHEMBL2790139 0.83 CNR1 (0.43) VNN1HCRTR1HCRTR2
SCHEMBL1597566 0.83 MEN1 (0.49) HCRTR1HCRTR2MEN1KMT2A
SCHEMBL2790136 0.83 CNR1 (0.43) VNN1HCRTR1HCRTR2
SCHEMBL1597568 0.83 MEN1 (0.49) HCRTR1HCRTR2MEN1KMT2A
SCHEMBL5139148 0.83 TP53 (0.50) VNN1HCRTR1HCRTR2
SCHEMBL5139149 0.83 TP53 (0.50) VNN1HCRTR1HCRTR2
SCHEMBL1598802 0.82 CYP2D6 (0.46) VNN1HCRTR1HCRTR2

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 7 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
CN-100448874-C N-aroyl cyclic amines SMITHKLINE BEECHAM PLC (GB) 2009-01-07 CN claimed
EP-1385845-B1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM PLC (GB) 2008-01-09 EP claimed
CN-100448874-C N-aroyl cyclic amines SMITHKLINE BEECHAM PLC (GB) 2009-01-07 CN 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
CN-1633433-A N-aroyl cyclic amines SMITHKLINE BEECHAM PLC (GB) 2005-06-29 CN 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 (1 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 VNN1 846/4885HCRTR1 417/4885HCRTR2 344/4885

“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.