SCHEMBL5868972

SCHEMBL5868972

CC(C)(C)OC(=O)Nc1ccc(-c2ccccn2)cc1NC(=O)CC(=O)c1cccc(C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.44
SMO Q99835 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
FFAR1 O14842 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
EGLN2 Q96KS0 1/20 0.37
GRM4 Q14833 1/20 0.37
GSK3B P49841 2/20 0.36
GRM5 P41594 3/20 0.36
VNN1 O95497 1/20 0.36

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
SCHEMBL5869023 0.88 HDAC1 (0.42) ALDH1A1GSK3B
SCHEMBL5868787 0.88 HDAC1 (0.42) ALDH1A1GSK3B
SCHEMBL5869030 0.87 GSK3B (0.40) SMN1; SMN2ALDH1A1EGLN2GSK3BGRM5
SCHEMBL7459196 0.86 MAPK14 (0.48) MAPK14SMOSMN1; SMN2KDM4EHTT
SCHEMBL5558039 0.86 NPC1 (0.39) MAPK14SMOSMN1; SMN2NPC1ALDH1A1
SCHEMBL5869064 0.86 GSK3B (0.39) ALDH1A1EGLN2GSK3BGRM5
SCHEMBL5869010 0.85 KCNQ4 (0.45) KDM4EALDH1A1EGLN2GSK3BGRM5
SCHEMBL5868909 0.84 KCNQ4 (0.38) NPC1RAB9AEGLN2GSK3BGRM5
SCHEMBL5868942 0.84 ERCC5 (0.44) MAPK14NPC1ALDH1A1RAB9AGSK3B
SCHEMBL5868849 0.84 KCNQ4 (0.41) GSK3BGRM5

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 MAPK14 3580/4885SMO 1001/4885SMN1; SMN2 4427/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 MAPK14 3677/4885SMO 725/4885SMN1; SMN2 4608/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 MAPK14 3677/4885SMO 725/4885SMN1; SMN2 4608/4885

“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.