SCHEMBL846416

SCHEMBL846416

CCOC(=O)c1c[nH]c2ccc(F)cc2c1=O

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.74
GABRB2 P47870 4/20 0.74
GABRB1 P18505 3/20 0.73
GABRA3 P34903 3/20 0.73
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 3/20 0.64
HPGD P15428 2/20 0.64
MEN1 O00255 1/20 0.64
TP53 P04637 1/20 0.64
KMT2A Q03164 1/20 0.64
HSD17B10 Q99714 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
CLEC4M Q9H2X3 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL5313637 0.91 ALDH1A1 (0.61) GABRA1GABRB2GABRB1GABRA3KDM4E
SCHEMBL30175047 0.91 ALDH1A1 (0.61) GABRA1GABRB2GABRB1GABRA3KDM4E
SCHEMBL4742551 0.90 GABRA1 (0.63) GABRA1GABRB2GABRB1GABRA3KDM4E
SCHEMBL7284420 0.86 GABRA1 (0.78) GABRA1GABRB2GABRB1GABRA3KDM4E
SCHEMBL30417619 0.86 GABRA1 (0.78) GABRA1GABRB2GABRB1GABRA3KDM4E
SCHEMBL7291769 0.85 GABRA1 (1.00) GABRA1GABRB2GABRB1GABRA3ALDH1A1
SCHEMBL1366633 0.84 GABRA1 (0.74) GABRA1GABRB2GABRB1GABRA3ALDH1A1
SCHEMBL7381114 0.84 GABRA1 (1.00) GABRA1GABRB2GABRB1GABRA3ALDH1A1
SCHEMBL22886423 0.84 GABRA1 (0.74) GABRA1GABRB2GABRB1GABRA3ALDH1A1
SCHEMBL1211778 0.84 GABRA1 (0.74) GABRA1GABRB2GABRB1GABRA3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109651247-A A kind of green high-efficient synthetic method of carbostyril compound 云南民族大学 2019-04-19 CN disclosed
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP disclosed
EP-2308848-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor Janssen Pharmaceutica NV (BE) 2011-04-13 EP disclosed
EP-2308848-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor Janssen Pharmaceutica NV (BE) 2011-04-13 EP disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US disclosed
EP-1603883-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-14 EP disclosed
CN-1176921-C Hemihydrochloride salt of 8-cyano-1-cyclopropyl-7- (1S, 6S-2, 8-diazabicyclo [4.3.0] non-8-yl) -6-fluoro-1, 4-dihydro-4-oxo-3-quinolinecarboxylic acid 2004-11-24 CN disclosed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 US disclosed
WO-2004069792-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (US) 2004-08-19 WO disclosed
CN-1328557-A Hemihydrochloride salt of 8-cyano-1-cyclopropyl-7- (1S, 6S-2, 8-diazabicyclo [4.3.0] non-8-yl) -6-fluoro-1, 4-dihydro-4-oxo-3-quinolinecarboxylic acid BAYER AG (DE) 2001-12-26 CN 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 (2 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-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor TRPV1, OPRL1, TRPV2 GABRA1 183/4885GABRB2 501/4885GABRB1 403/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 GABRA1 183/4885GABRB2 501/4885GABRB1 403/4885

“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.