SCHEMBL5869093

SCHEMBL5869093

COCOc1cc(F)ccc1-c1ccc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 9/20 0.42
ABCC1 P33527 7/20 0.42
EGFR P00533 1/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KCNMA1 Q12791 1/20 0.37

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
SCHEMBL7467490 0.88 ABCB1 (0.46) ABCB1ABCC1EGFRMAPTALDH1A1
SCHEMBL5868946 0.85 EGFR (0.43) ABCB1ABCC1EGFR
SCHEMBL5868907 0.84 ABCC1 (0.44) ABCB1ABCC1MAPTALDH1A1MEN1
SCHEMBL5869165 0.83 MAPT (0.44) ABCB1ABCC1MAPTALDH1A1MEN1
SCHEMBL5868801 0.82 ABCC1 (0.44) ABCB1ABCC1MAPTALDH1A1MEN1
SCHEMBL5868755 0.81 ABCB1 (0.49) ABCB1ABCC1MAPTALDH1A1KCNMA1
SCHEMBL29799606 0.81 KCNMA1 (0.53) ABCB1ABCC1MAPTALDH1A1MEN1
SCHEMBL1265609 0.81 KCNMA1 (0.53) ABCB1ABCC1MAPTALDH1A1MEN1
SCHEMBL5868864 0.80 ABCB1 (0.52) ABCB1ABCC1MAPTALDH1A1MAPK1
SCHEMBL7146551 0.79 ABCB1 (0.39) ABCB1ABCC1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7151098-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-12-19 US disclosed
US-20060148791-A1 Glutamate receptor antagonists ADAM GEO 2006-07-06 US disclosed
US-7018998-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-03-28 US disclosed
US-6960578-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2005-11-01 US disclosed
US-20050234048-A1 Glutamate receptor antagonists ADAM GEO 2005-10-20 US disclosed
EP-1224175-B1 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2004-03-17 EP disclosed
US-20030092677-A1 Glutamate receptor antagonists ADAM GEO (DE) 2003-05-15 US disclosed
US-6509328-B1 Metabotropic glutamate receptor antagonists and accordingly are useful for the treatment of a range of neurological disorders, including psychosis, schizophrenia, Alzheimer's and others HOFFMANN-LA ROCHE INC. 2003-01-21 US 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 (3 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-20030092677-A1 Glutamate receptor antagonists GRM1, GRM3, GRM2 ABCB1 1092/4885ABCC1 768/4885EGFR 286/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 ABCB1 1124/4885ABCC1 1354/4885EGFR 264/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 ABCB1 1124/4885ABCC1 1354/4885EGFR 264/4885

“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.