SCHEMBL5869074

SCHEMBL5869074

CC(C)(C)OC(=O)Nc1ccc(C(=O)c2ccccc2)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 5/20 0.48
▸ ABCC8 Q09428 5/20 0.48
▸ KCNJ11 Q14654 5/20 0.48
▸ KCNJ8 Q15842 5/20 0.48
▸ PPARG P37231 3/20 0.47
▸ PPARA Q07869 3/20 0.47
▸ PPARD Q03181 2/20 0.47
▸ PDK1 Q15118 2/20 0.44
▸ PDK2 Q15119 2/20 0.44
▸ PDK3 Q15120 2/20 0.44
▸ PDK4 Q16654 2/20 0.44
▸ MAPK13 O15264 2/20 0.44
▸ MAPK12 P53778 2/20 0.44
▸ MAPK11 Q15759 2/20 0.44
▸ MAPK14 Q16539 2/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL14876842 0.86 GAA (0.54) MAPK1ALDH1A1HTTL3MBTL1ALOX15
SCHEMBL29446496 0.83 ALOX15 (0.58) MAPK1ALDH1A1ALOX15KDM4EGAA
SCHEMBL17336829 0.83 ALOX15 (0.58) MAPK1ALDH1A1ALOX15KDM4EGAA
SCHEMBL28628874 0.83 ALOX15 (0.46) HDAC1MAPK1ALDH1A1HTTALOX15
SCHEMBL4516629 0.82 MAPT (0.55) HDAC1MAPK1ALDH1A1ALOX15KDM4E
SCHEMBL5868802 0.81 ABCB1 (0.54) HDAC1CYP17A1AAK1
SCHEMBL1753916 0.81 ABCB1 (0.54) HDAC1CYP17A1AAK1
SCHEMBL11789120 0.80 ALDH1A1 (0.58) ABCC9ABCC8KCNJ11KCNJ8MAPK13
SCHEMBL5868984 0.80 HCAR3 (0.55) MAPK1ALDH1A1HTTMAPT
Ammonia Solution, Strong SCHEMBL21835798 0.80 ABCB1 (0.53) HDAC1CYP17A1AAK1

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 ABCC9 1114/4885ABCC8 1206/4885KCNJ11 748/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 ABCC9 1188/4885ABCC8 1128/4885KCNJ11 924/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 ABCC9 1188/4885ABCC8 1128/4885KCNJ11 924/4885

“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.

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