SCHEMBL5869047

SCHEMBL5869047

CC(C)(C)OC(=O)Nc1ccc(C(=O)c2ccccc2)cc1NC(=O)CC(=O)c1cccc(C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 5/20 0.43
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
KCNJ8 Q15842 1/20 0.41
KMT2A Q03164 2/20 0.40
GSK3B P49841 1/20 0.40
ALDH1A1 P00352 1/20 0.38
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
PPARD Q03181 2/20 0.37
GPR139 Q6DWJ6 1/20 0.37
MEN1 O00255 1/20 0.37
LTB4R Q15722 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL5868814 0.89 PTGES (0.41) VNN1KMT2AGSK3BALDH1A1GPR139
SCHEMBL5869023 0.89 HDAC1 (0.42) KMT2AGSK3BALDH1A1GPR139MEN1
SCHEMBL5868787 0.89 HDAC1 (0.42) KMT2AGSK3BALDH1A1GPR139MEN1
SCHEMBL14753361 0.87 GSK3B (0.44) GSK3BRAB9A
SCHEMBL5869052 0.87 GSK3B (0.41) GSK3BALDH1A1
SCHEMBL7459390 0.86 GSK3B (0.46) VNN1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL5869030 0.86 GSK3B (0.40) GSK3BALDH1A1
SCHEMBL5868781 0.85 MAPT (0.42) VNN1KMT2AALDH1A1MEN1
SCHEMBL5868789 0.85 GSK3B (0.40) VNN1GSK3BALDH1A1GPR139
SCHEMBL5869064 0.84 GSK3B (0.39) GSK3BALDH1A1

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 VNN1 4531/4885ABCC9 1114/4885ABCC8 1206/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 VNN1 4565/4885ABCC9 1188/4885ABCC8 1128/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 VNN1 4565/4885ABCC9 1188/4885ABCC8 1128/4885

“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.