SCHEMBL5868993

SCHEMBL5868993

CC(C)(C)OC(=O)Nc1ccc(-c2ccc(F)cc2F)cc1NC(=O)CC(=O)c1ccnc(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.40
KCNQ4 P56696 3/20 0.38
KCNQ5 Q9NR82 3/20 0.38
EGLN2 Q96KS0 2/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
RIPK3 Q9Y572 1/20 0.35
LGMN Q99538 1/20 0.34
AAK1 Q2M2I8 5/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL5868818 0.91 CYP17A1 (0.41) CYP17A1KCNQ4KCNQ5EGLN2ALOX5AP
SCHEMBL5868769 0.91 CYP17A1 (0.45) CYP17A1KCNQ4KCNQ5EGLN2RIPK3
SCHEMBL7142468 0.87 ALOX5AP (0.37) ALOX5APFEN1TP53
SCHEMBL5868790 0.85 KCNQ4 (0.40) CYP17A1KCNQ4KCNQ5EGLN2
SCHEMBL7145193 0.84 CYP17A1 (0.37) CYP17A1KCNQ4KCNQ5EGLN2RIPK3
SCHEMBL29446494 0.82 CYP17A1 (0.38) CYP17A1KCNQ4KCNQ5EGLN2AAK1
SCHEMBL17336523 0.82 MEN1 (0.43) CYP17A1KCNQ4KCNQ5AAK1
SCHEMBL17336569 0.82 CYP17A1 (0.38) CYP17A1KCNQ4KCNQ5EGLN2AAK1
SCHEMBL5868899 0.81 AAK1 (0.35) CYP17A1KCNQ4KCNQ5AAK1
SCHEMBL6165337 0.80 MAPT (0.37) CYP17A1EGLN2RIPK3

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 CYP17A1 1449/4885KCNQ4 972/4885KCNQ5 805/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 CYP17A1 1907/4885KCNQ4 673/4885KCNQ5 628/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 CYP17A1 1907/4885KCNQ4 673/4885KCNQ5 628/4885

“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.