SCHEMBL1597780

SCHEMBL1597780

O=C(O)N1CCCCC1CNc1cnc2cccnc2n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 8/20 0.41
HCRTR1 O43613 5/20 0.41
PRMT5 O14744 1/20 0.40
JAK3 P52333 2/20 0.38
VNN1 O95497 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
ABHD6 Q9BV23 1/20 0.35
DAGLA Q9Y4D2 1/20 0.35
DPP4 P27487 4/20 0.35
DPP8 Q6V1X1 4/20 0.35
DPP7 Q9UHL4 4/20 0.35
CYP2D6 P10635 3/20 0.35
DPP9 Q86TI2 3/20 0.35
ALDH1A1 P00352 1/20 0.34
NR2F2 P24468 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL1597999 0.92 HCRTR2 (0.41) HCRTR2HCRTR1PRMT5JAK3VNN1
SCHEMBL1598372 0.87 HCRTR2 (0.45) HCRTR2HCRTR1PRMT5JAK3ALDH1A1
SCHEMBL1598371 0.87 HCRTR2 (0.45) HCRTR2HCRTR1PRMT5JAK3ALDH1A1
SCHEMBL1598926 0.85 HCRTR2 (0.44) HCRTR2HCRTR1PRMT5VNN1TRPV1
SCHEMBL1598920 0.85 HCRTR2 (0.44) HCRTR2HCRTR1PRMT5VNN1TRPV1
SCHEMBL1597965 0.83 HCRTR2 (0.42) HCRTR2HCRTR1PRMT5VNN1DAGLA
SCHEMBL1597961 0.83 HCRTR2 (0.42) HCRTR2HCRTR1PRMT5VNN1DAGLA
SCHEMBL1598763 0.79 DPP4 (0.43) HCRTR2HCRTR1PRMT5JAK3DPP4
SCHEMBL1598762 0.79 DPP4 (0.43) HCRTR2HCRTR1PRMT5JAK3DPP4
SCHEMBL1598658 0.78 HCRTR2 (0.42) HCRTR2HCRTR1DAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20040143115-A1 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2004-07-22 US disclosed
EP-1385845-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM PLC (GB) 2004-02-04 EP disclosed
WO-2002090355-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. (GB) 2002-11-14 WO 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 HCRTR2 344/4885HCRTR1 417/4885PRMT5 200/4885
US-20090093478-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB HCRTR2 344/4885HCRTR1 417/4885PRMT5 200/4885
US-20090029986-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB HCRTR2 344/4885HCRTR1 417/4885PRMT5 200/4885
US-20040143115-A1 N-aroyl cyclic amines HCRTR1, HCRTR2, CNR1 HCRTR2 2/4885HCRTR1 1/4885PRMT5 1134/4885

“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.