SCHEMBL5868864

SCHEMBL5868864

COc1ccccc1-c1ccc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 12/20 0.52
ABCC1 P33527 9/20 0.52
RXFP1 Q9HBX9 1/20 0.47
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL2135471 0.87 ABCB1 (0.45) ABCB1ABCC1HTTMAPTSMN1; SMN2
SCHEMBL5868850 0.86 RAB9A (0.48) ABCB1ABCC1HTTMAPTSMN1; SMN2
SCHEMBL5868941 0.86 ABCC1 (0.45) ABCB1ABCC1HTTMAPTSMN1; SMN2
SCHEMBL3236492 0.84 ABCB1 (0.60) ABCB1ABCC1HTTMAPTSMN1; SMN2
SCHEMBL30267927 0.84 ABCB1 (0.60) ABCB1ABCC1HTTMAPTSMN1; SMN2
SCHEMBL5868990 0.84 ABCB1 (0.60) ABCB1ABCC1HTTMAPTSMN1; SMN2
SCHEMBL5868889 0.84 ABCB1 (0.43) ABCB1ABCC1HTTMAPTSMN1; SMN2
SCHEMBL5869153 0.83 ABCB1 (0.50) ABCB1ABCC1RAB9A
SCHEMBL5868842 0.82 ABCB1 (0.57) ABCB1ABCC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5869185 0.82 ABCB1 (0.48) ABCB1ABCC1

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 768/4885RXFP1 193/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 ABCB1 1124/4885ABCC1 1354/4885RXFP1 222/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 ABCB1 1124/4885ABCC1 1354/4885RXFP1 222/4885

“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.