SCHEMBL3332865

SCHEMBL3332865

O=C(C1CCCN1)N1CCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.64
DPP8 Q6V1X1 4/20 0.64
DPP9 Q86TI2 4/20 0.64
FAP Q12884 1/20 0.53
DPP7 Q9UHL4 1/20 0.53
PARP1 P09874 1/20 0.44
HPGD P15428 1/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
NOS2 P35228 2/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TGM2 P21980 1/20 0.41
ARG1 P05089 2/20 0.41
ARG2 P78540 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRNB3 Q05901 1/20 0.41

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
SCHEMBL3332858 1.00 DPP4 (0.64) DPP4DPP8DPP9FAPDPP7
SCHEMBL488953 0.96 DPP4 (0.64) DPP4DPP8DPP9FAPDPP7
SCHEMBL1383434 0.96 DPP4 (0.64) DPP4DPP8DPP9FAPDPP7
SCHEMBL488954 0.96 DPP4 (0.64) DPP4DPP8DPP9FAPDPP7
SCHEMBL10326191 0.94 DPP4 (0.62) DPP4DPP8DPP9FAPDPP7
SCHEMBL14548972 0.94 DPP4 (0.62) DPP4DPP8DPP9FAPDPP7
SCHEMBL3331450 0.94 DPP4 (0.62) DPP4DPP8DPP9FAPDPP7
Hydrochloric Acid SCHEMBL5413834 0.94 DPP4 (0.62) DPP4DPP8DPP9FAPDPP7
SCHEMBL3335449 0.94 DPP4 (0.62) DPP4DPP8DPP9FAPDPP7
SCHEMBL21552116 0.94 DPP4 (0.66) DPP4DPP8DPP9FAPDPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 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 (1 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-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 DPP4 2699/4885DPP8 2973/4885DPP9 2264/4885

“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.