SCHEMBL5869245

SCHEMBL5869245

CC(C)(C)OC(=O)Nc1ccc(C#Cc2ccccc2)cc1NC(=O)CC(=O)c1ccnc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GRIN2B Q13224 1/20 0.34
ALDH1A1 P00352 3/20 0.34
EGLN2 Q96KS0 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
RORC P51449 1/20 0.34
PTPN11 Q06124 1/20 0.33
FFAR1 O14842 1/20 0.33
CYP17A1 P05093 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
PTPN1 P18031 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
SCHEMBL7527939 0.87 RAB9A (0.38) MEN1KMT2AALDH1A1FFAR1NPC1
SCHEMBL17336523 0.87 MEN1 (0.43) MEN1KMT2AGRIN2BCYP17A1NPC1
SCHEMBL5868814 0.87 PTGES (0.41) PTGESMEN1KMT2AALDH1A1ACACB
SCHEMBL29446494 0.85 CYP17A1 (0.38) MEN1KMT2AEGLN2CYP17A1
SCHEMBL17336569 0.85 CYP17A1 (0.38) MEN1KMT2AEGLN2CYP17A1
SCHEMBL5868899 0.83 AAK1 (0.35) ACACBCYP17A1CTSSCTSK
SCHEMBL5558039 0.83 NPC1 (0.39) PTGESMEN1KMT2AALDH1A1ACACB
SCHEMBL5868818 0.82 CYP17A1 (0.41) EGLN2CYP17A1CTSSCTSKPTPN1
SCHEMBL5868769 0.82 CYP17A1 (0.45) EGLN2CYP17A1
SCHEMBL5868953 0.82 DGAT1 (0.35) EGLN2ACACBACACARORCCYP17A1

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 PTGES 2197/4885MEN1 3699/4885KMT2A 1397/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 PTGES 1596/4885MEN1 3796/4885KMT2A 1239/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 PTGES 1596/4885MEN1 3796/4885KMT2A 1239/4885

“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.