SCHEMBL1597840

SCHEMBL1597840

CCc1cnc(NCC2CCCN2C(=O)OC(C)(C)C)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.44
HCRTR1 O43613 2/20 0.43
OPRD1 P41143 1/20 0.43
ALDH1A1 P00352 3/20 0.43
FPR3 P25089 1/20 0.42
FPR2 P25090 1/20 0.42
KDM1A O60341 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
VNN1 O95497 1/20 0.41
CYP2D6 P10635 1/20 0.41
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 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
SCHEMBL1597836 1.00 PRMT5 (0.44) PRMT5HCRTR1OPRD1ALDH1A1FPR3
SCHEMBL1598122 0.88 HCRTR1 (0.49) HCRTR1OPRD1ALDH1A1ALOX5APFEN1
SCHEMBL12810103 0.88 FPR3 (0.49) PRMT5HCRTR1OPRD1ALDH1A1FPR3
SCHEMBL1598119 0.88 HCRTR1 (0.49) HCRTR1OPRD1ALDH1A1ALOX5APFEN1
SCHEMBL888987 0.87 PRMT5 (0.48) PRMT5HCRTR1OPRD1FPR3FPR2
SCHEMBL1597407 0.87 NPC1 (0.48) PRMT5OPRD1ALDH1A1FPR3FPR2
SCHEMBL1597402 0.87 NPC1 (0.48) PRMT5OPRD1ALDH1A1FPR3FPR2
SCHEMBL7204445 0.85 PRMT5 (0.46) PRMT5HCRTR1OPRD1ALDH1A1FPR3
SCHEMBL889104 0.85 PRMT5 (0.46) PRMT5HCRTR1OPRD1ALDH1A1FPR3
SCHEMBL22767983 0.82 ALOX5AP (0.48) ALDH1A1MEN1KMT2AALOX5APFEN1

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 PRMT5 200/4885HCRTR1 417/4885OPRD1 58/4885
US-20090093478-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB PRMT5 200/4885HCRTR1 417/4885OPRD1 58/4885
US-20090029986-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB PRMT5 200/4885HCRTR1 417/4885OPRD1 58/4885
US-20040143115-A1 N-aroyl cyclic amines HCRTR1, HCRTR2, CNR1 PRMT5 1134/4885HCRTR1 1/4885OPRD1 29/4885

“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.