SCHEMBL1598039

SCHEMBL1598039

N#Cc1ccnc(NCC2CCCCN2C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.47
DPP8 Q6V1X1 3/20 0.47
DPP7 Q9UHL4 3/20 0.47
CYP2D6 P10635 2/20 0.47
DPP9 Q86TI2 2/20 0.47
HRH3 Q9Y5N1 1/20 0.42
HCRTR1 O43613 7/20 0.42
MAP3K12 Q12852 1/20 0.41
HCRTR2 O43614 3/20 0.41
USP30 Q70CQ3 3/20 0.40
CPT1A P50416 1/20 0.40
PREP P48147 1/20 0.39
BTK Q06187 1/20 0.39

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
SCHEMBL1598037 1.00 DPP4 (0.47) DPP4DPP8DPP7CYP2D6DPP9
SCHEMBL6820877 0.85 DPP4 (0.58) DPP4DPP8DPP7CYP2D6DPP9
SCHEMBL1597146 0.85 DPP4 (0.58) DPP4DPP8DPP7CYP2D6DPP9
SCHEMBL3601249 0.82 DPP4 (0.61) DPP4DPP8DPP7CYP2D6DPP9
SCHEMBL1597359 0.78 CYP2D6 (0.47) DPP4DPP8DPP7CYP2D6DPP9
SCHEMBL1597361 0.78 CYP2D6 (0.47) DPP4DPP8DPP7CYP2D6DPP9
SCHEMBL9075518 0.77 DPP4 (0.47) DPP4DPP8DPP7CYP2D6DPP9
SCHEMBL8695496 0.77 DPP4 (0.47) DPP4DPP8DPP7CYP2D6DPP9
SCHEMBL2037145 0.77 ADORA2A (0.44) DPP4DPP8DPP7CYP2D6DPP9
SCHEMBL1597228 0.77 DPP4 (0.58) DPP4DPP8DPP7CYP2D6DPP9

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 10 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-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 DPP4 3346/4885DPP8 3723/4885DPP7 3394/4885
US-20090093478-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB DPP4 3346/4885DPP8 3723/4885DPP7 3394/4885
US-20090029986-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB DPP4 3346/4885DPP8 3723/4885DPP7 3394/4885
US-20040143115-A1 N-aroyl cyclic amines HCRTR1, HCRTR2, CNR1 DPP4 3918/4885DPP8 4406/4885DPP7 4720/4885

“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.