SCHEMBL1598677

SCHEMBL1598677

CC(C)(C)OC(=O)N1CCCC1CNc1ccc(Br)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.53
FPR2 P25090 1/20 0.53
PRMT5 O14744 1/20 0.49
HCRTR2 O43614 4/20 0.47
HCRTR1 O43613 3/20 0.47
OPRK1 P41145 2/20 0.47
KMT2A Q03164 1/20 0.45
KDM1A O60341 1/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
OPRD1 P41143 1/20 0.44
USP30 Q70CQ3 1/20 0.43
CYP2D6 P10635 1/20 0.42
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
UCHL1 P09936 1/20 0.42

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
SCHEMBL1598674 1.00 FPR3 (0.53) FPR3FPR2PRMT5HCRTR2HCRTR1
SCHEMBL1874931 0.86 FPR3 (0.47) FPR3FPR2PRMT5OPRK1KMT2A
SCHEMBL1878430 0.86 FPR3 (0.47) FPR3FPR2PRMT5OPRK1KMT2A
SCHEMBL12810103 0.86 FPR3 (0.49) FPR3FPR2PRMT5HCRTR2HCRTR1
SCHEMBL8007405 0.86 HCRTR2 (0.60) FPR3FPR2PRMT5HCRTR2HCRTR1
SCHEMBL22761842 0.86 HCRTR1 (0.55) HCRTR2HCRTR1DPP4
SCHEMBL1598401 0.85 DPP4 (0.55) FPR3FPR2PRMT5HCRTR1USP30
SCHEMBL1598400 0.85 DPP4 (0.55) FPR3FPR2PRMT5HCRTR1USP30
SCHEMBL12810104 0.84 FPR2 (0.62) FPR3FPR2PRMT5OPRK1KMT2A
SCHEMBL15254298 0.83 IKBKB (0.46) FPR3FPR2PRMT5KMT2AKDM1A

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-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 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
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 (5 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 FPR3 674/4885FPR2 824/4885PRMT5 200/4885
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 FPR3 3154/4885FPR2 4049/4885PRMT5 1634/4885
US-20090093478-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB FPR3 674/4885FPR2 824/4885PRMT5 200/4885
US-20090029986-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB FPR3 674/4885FPR2 824/4885PRMT5 200/4885
US-20040143115-A1 N-aroyl cyclic amines HCRTR1, HCRTR2, CNR1 FPR3 223/4885FPR2 443/4885PRMT5 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.