SCHEMBL5869153

SCHEMBL5869153

COc1cccc(F)c1-c1ccc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 16/20 0.50
ABCC1 P33527 13/20 0.50
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL5868902 0.84 ABCC1 (0.45) ABCB1ABCC1KMT2A
SCHEMBL5868864 0.83 ABCB1 (0.52) ABCB1ABCC1RAB9A
SCHEMBL5868851 0.82 RAB9A (0.44) ABCB1ABCC1MEN1RAB9AKMT2A
SCHEMBL5868850 0.82 RAB9A (0.48) ABCB1ABCC1MEN1RAB9AKMT2A
SCHEMBL5868755 0.82 ABCB1 (0.49) ABCB1ABCC1
SCHEMBL5868997 0.81 ABCB1 (0.49) ABCB1ABCC1
SCHEMBL25224772 0.81 CYP17A1 (0.49) ABCB1ABCC1MEN1RAB9AKMT2A
SCHEMBL30474817 0.81 CYP17A1 (0.49) ABCB1ABCC1MEN1RAB9AKMT2A
SCHEMBL5868900 0.80 ABCB1 (0.57) ABCB1ABCC1MEN1RAB9AKMT2A
SCHEMBL5868907 0.79 ABCC1 (0.44) ABCB1ABCC1MEN1RAB9AKMT2A

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 10 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
EP-1224175-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029012-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 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 (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 768/4885MEN1 3699/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 ABCB1 1124/4885ABCC1 1354/4885MEN1 3796/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 ABCB1 1124/4885ABCC1 1354/4885MEN1 3796/4885

“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.