SCHEMBL5868869

SCHEMBL5868869

Cc1cc(F)ccc1-c1ccc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-n3ccnc3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 5/20 0.41
ABL1 P00519 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
CYP17A1 P05093 2/20 0.36
KCNQ4 P56696 3/20 0.35
KCNQ5 Q9NR82 3/20 0.35
KDM4D Q6B0I6 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
BRD4 O60885 1/20 0.34
CDK9 P50750 1/20 0.34
MAPK14 Q16539 1/20 0.33

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
SCHEMBL5868843 0.91 CYP17A1 (0.42) ABL1L3MBTL1CYP17A1KCNQ4KCNQ5
SCHEMBL7146597 0.90 ADH5 (0.41) ADH5ABL1L3MBTL1CYP17A1KCNQ4
SCHEMBL5868770 0.90 ABL1 (0.42) ABL1L3MBTL1CYP17A1KCNQ4KCNQ5
SCHEMBL5868763 0.89 ABL1 (0.37) ADH5ABL1L3MBTL1CYP17A1KCNQ4
SCHEMBL5868854 0.89 ABL1 (0.41) ADH5ABL1L3MBTL1CYP17A1KDM4D
SCHEMBL7141809 0.88 ABL1 (0.40) ADH5ABL1L3MBTL1KDM4DPDE4A
SCHEMBL5869001 0.86 PORCN (0.42) ABL1L3MBTL1CYP17A1KDM4DPDE4A
SCHEMBL7143394 0.85 ADH5 (0.40) ADH5ABL1L3MBTL1CYP17A1KCNQ4
SCHEMBL7139808 0.85 ABL1 (0.39) ADH5ABL1L3MBTL1CYP17A1KCNQ4
SCHEMBL7139934 0.84 ABL1 (0.41) ADH5ABL1L3MBTL1CYP17A1KCNQ4

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 ADH5 1536/4885ABL1 2623/4885L3MBTL1 2525/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 ADH5 1391/4885ABL1 1925/4885L3MBTL1 2368/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 ADH5 1391/4885ABL1 1925/4885L3MBTL1 2368/4885

“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.