SCHEMBL3332909

SCHEMBL3332909

CCCCC1NCCN(C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
GHSR Q92847 2/20 0.39
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
ALOX5 P09917 2/20 0.32
ELANE P08246 1/20 0.32
CYP3A4 P08684 2/20 0.31
TP53 P04637 2/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL17351114 0.93 ALOX5 (0.36) ALDH1A1GHSRALOX5CYP1A2PTGS1
SCHEMBL28510062 0.93 ALOX5 (0.36) ALDH1A1GHSRALOX5CYP1A2PTGS1
SCHEMBL21815505 0.82 SLC6A2 (0.42) ALDH1A1CYP2C9CYP2C19SLC6A2SLC6A4
SCHEMBL10842751 0.74 EP300 (0.38) GHSRMEN1KMT2AKDM4ECYP3A4
SCHEMBL8085940 0.69 ALDH1A1 (0.36) ALDH1A1MMP1MMP3MMP9MEN1
SCHEMBL13447330 0.69 SMN1; SMN2 (0.41) ALDH1A1GHSRMEN1KMT2AMAPT
SCHEMBL25221176 0.69 PLA2G10 (0.48) GHSRPKMCYP3A4CYP1A2CYP2C19
SCHEMBL12809534 0.69 PLA2G10 (0.48) GHSRPKMCYP3A4CYP1A2CYP2C19
SCHEMBL531779 0.67
SCHEMBL12084235 0.67

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 ALDH1A1 2297/4885GHSR 814/4885MMP1 4287/4885

“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.