SCHEMBL15351663

SCHEMBL15351663

CCOC(=O)c1cnc(C(=O)OCC)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 3/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
XBP1 P17861 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TLR9 Q9NR96 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
P2RY12 Q9H244 11/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL20613721 0.92 ALDH1A1 (0.47) CYP2C9CYP2C19ALDH1A1MAPK1NPC1
SCHEMBL21102374 0.92 ALDH1A1 (0.49) CYP2C9CYP2C19ALDH1A1MAPK1NPC1
SCHEMBL519387 0.91 CYP2C9 (0.56) CYP2C9CYP2C19ALDH1A1MAPK1NPC1
SCHEMBL14831259 0.91 ALDH1A1 (0.51) CYP2C9CYP2C19ALDH1A1MAPK1NPC1
SCHEMBL15449653 0.91 CYP2C9 (0.56) CYP2C9CYP2C19ALDH1A1MAPK1NPC1
SCHEMBL23912583 0.89 HTT (0.48) CYP2C9CYP2C19ALDH1A1MAPK1NPC1
SCHEMBL17986785 0.89 ALDH1A1 (0.44) CYP2C9CYP2C19ALDH1A1MAPK1NPC1
SCHEMBL14830838 0.88 CYP2C9 (0.47) CYP2C9CYP2C19ALDH1A1MAPK1NPC1
SCHEMBL31050105 0.85 ALDH1A1 (0.61) CYP2C9CYP2C19ALDH1A1MAPK1MAPT
SCHEMBL337203 0.85 ALDH1A1 (0.61) CYP2C9CYP2C19ALDH1A1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841435-B1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2017-09-06 EP disclosed
CN-104520296-B Pyrrolopyridinone derivatives as TTX-S blocker 拉夸里亚创药株式会社 2016-11-16 CN disclosed
US-9187475-B2 Pyrrolopyridinone derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-11-17 US disclosed
CN-104520296-A Pyrrolopyridinone derivatives as TTX-S blockers RAQUALIA PHARMA INC 2015-04-15 CN disclosed
US-20150094306-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2015-04-02 US disclosed
EP-2841435-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2015-03-04 EP disclosed
WO-2013161312-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2013-10-31 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-20150094306-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS SCN5A, SCN1B, SCN1A CYP2C9 4102/4885CYP2C19 4356/4885ALDH1A1 2675/4885

“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.