SCHEMBL5869023

SCHEMBL5869023

CC(C)(C)OC(=O)Nc1ccc(-c2ccc(-c3ccccc3)cc2)cc1NC(=O)CC(=O)c1cccc(C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
CTSB P07858 1/20 0.41
LTB4R Q15722 1/20 0.41
GSK3B P49841 1/20 0.40
ACLY P53396 1/20 0.39
CYP17A1 P05093 2/20 0.38
SLC2A1 P11166 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ERCC5 P28715 2/20 0.37
FEN1 P39748 2/20 0.37
GPR139 Q6DWJ6 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PLAU P00749 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
SCHEMBL5868787 1.00 HDAC1 (0.42) HDAC1CTSSCTSKCTSBLTB4R
SCHEMBL5869030 0.95 GSK3B (0.40) HDAC1CTSSCTSKCTSBGSK3B
SCHEMBL5869064 0.94 GSK3B (0.39) HDAC1CTSSCTSKCTSBGSK3B
SCHEMBL5869010 0.93 KCNQ4 (0.45) HDAC1GSK3BCYP17A1SLC2A1ALDH1A1
SCHEMBL5868942 0.92 ERCC5 (0.44) LTB4RGSK3BALDH1A1ERCC5FEN1
SCHEMBL5868849 0.92 KCNQ4 (0.41) HDAC1CTSSCTSKGSK3BCYP17A1
SCHEMBL5868908 0.91 PLAU (0.45) GSK3BALDH1A1ERCC5FEN1MEN1
SCHEMBL5868943 0.89 ABL1 (0.42) GSK3BCYP17A1SLC2A1ALDH1A1MEN1
SCHEMBL5868814 0.89 PTGES (0.41) GSK3BALDH1A1GPR139MEN1KMT2A
SCHEMBL5869047 0.89 VNN1 (0.43) LTB4RGSK3BALDH1A1GPR139MEN1

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 8 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

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 HDAC1 1283/4885CTSS 4193/4885CTSK 4187/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 HDAC1 1506/4885CTSS 4071/4885CTSK 4103/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 HDAC1 1506/4885CTSS 4071/4885CTSK 4103/4885

“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.