SCHEMBL1597767

SCHEMBL1597767

O=C(O)N1CCCC[C@H]1CNc1ncc2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.47
HCRTR2 O43614 12/20 0.47
FDPS P14324 1/20 0.41
CCNK O75909 3/20 0.40
CCNA2 P20248 3/20 0.40
CDK2 P24941 3/20 0.40
CDK7 P50613 3/20 0.40
CCNH P51946 3/20 0.40
MNAT1 P51948 3/20 0.40
CDK12 Q9NYV4 3/20 0.40
VNN1 O95497 1/20 0.38
CYP2D6 P10635 1/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL1597771 1.00 HCRTR1 (0.47) HCRTR1HCRTR2FDPSCCNKCCNA2
SCHEMBL1598095 0.82 NPC1 (0.49) HCRTR1HCRTR2
SCHEMBL1598093 0.82 NPC1 (0.49) HCRTR1HCRTR2
SCHEMBL1598371 0.81 HCRTR2 (0.45) HCRTR1HCRTR2
SCHEMBL1598372 0.81 HCRTR2 (0.45) HCRTR1HCRTR2
SCHEMBL1598978 0.80 DPP4 (0.51) HCRTR1HCRTR2VNN1CYP2D6DPP4
SCHEMBL1598980 0.80 DPP4 (0.51) HCRTR1HCRTR2VNN1CYP2D6DPP4
SCHEMBL6922209 0.79 CYP2D6 (0.43) HCRTR1HCRTR2VNN1CYP2D6DPP4
SCHEMBL1598429 0.79 CYP2D6 (0.43) HCRTR1HCRTR2VNN1CYP2D6DPP4
SCHEMBL2790136 0.77 CNR1 (0.43) HCRTR1HCRTR2CDK2VNN1TRPV1

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 HCRTR1 417/4885HCRTR2 344/4885FDPS 1864/4885
US-20090093478-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB HCRTR1 417/4885HCRTR2 344/4885FDPS 1864/4885
US-20090029986-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB HCRTR1 417/4885HCRTR2 344/4885FDPS 1864/4885
US-20040143115-A1 N-aroyl cyclic amines HCRTR1, HCRTR2, CNR1 HCRTR1 1/4885HCRTR2 2/4885FDPS 4863/4885

“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.