SCHEMBL5869099

SCHEMBL5869099

CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2F)cc1NC(=O)CC(=O)c1cc(C#N)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 3/20 0.38
KCNQ4 P56696 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
ACLY P53396 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
PSMD14 O00487 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP17A1 P05093 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
GPR119 Q8TDV5 2/20 0.34
PTPN1 P18031 1/20 0.34
CHRM3 P20309 2/20 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
SCHEMBL5868909 0.88 KCNQ4 (0.38) EGLN2KCNQ4KCNQ5CTSSCTSK
SCHEMBL7138174 0.86 EGLN2 (0.37) EGLN2MEN1ALDH1A1MAPTKMT2A
SCHEMBL5869026 0.82 KCNQ4 (0.37) EGLN2KCNQ4KCNQ5KDM4EMEN1
SCHEMBL5868823 0.82 KCNQ4 (0.35) EGLN2KCNQ4KCNQ5CTSSCTSK
SCHEMBL5869054 0.81 KCNQ4 (0.40) EGLN2KCNQ4KCNQ5KDM4EALDH1A1
SCHEMBL5868988 0.81 KCNQ4 (0.37) EGLN2KCNQ4KCNQ5CTSSCTSK
SCHEMBL5868818 0.81 CYP17A1 (0.41) EGLN2KCNQ4KCNQ5CTSSCTSK
SCHEMBL5868790 0.80 KCNQ4 (0.40) EGLN2KCNQ4KCNQ5CTSSCTSK
SCHEMBL2316878 0.78 MEN1 (0.39) KCNQ4KCNQ5CTSSCTSKMEN1
SCHEMBL5868845 0.77 ABCC9 (0.38) CTSSCTSKAAK1PTPN1CHRM3

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 EGLN2 3070/4885KCNQ4 972/4885KCNQ5 805/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 EGLN2 2059/4885KCNQ4 673/4885KCNQ5 628/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 EGLN2 2059/4885KCNQ4 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.