SCHEMBL5869070

SCHEMBL5869070

CC(C)(C)OC(=O)Nc1ccc(-c2ccsc2)cc1NC(=O)CC(=O)c1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.38
GSK3B P49841 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
STK10 O94804 2/20 0.36
SLK Q9H2G2 2/20 0.36
TRPM4 Q8TD43 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
HDAC1 Q13547 1/20 0.34
KCNQ4 P56696 1/20 0.34
KCNQ5 Q9NR82 1/20 0.34
CTSK P43235 2/20 0.34
GRM5 P41594 1/20 0.34
CTSS P25774 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
RORC P51449 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
SCHEMBL5869030 0.89 GSK3B (0.40) GSK3BDRD2SIRT2SIRT1HDAC1
SCHEMBL5868787 0.88 HDAC1 (0.42) GSK3BHDAC1CTSKCTSS
SCHEMBL5869023 0.88 HDAC1 (0.42) GSK3BHDAC1CTSKCTSS
SCHEMBL5869064 0.88 GSK3B (0.39) GSK3BSIRT2SIRT1HDAC1KCNQ4
SCHEMBL5869010 0.87 KCNQ4 (0.45) GSK3BSIRT2SIRT1HDAC1KCNQ4
SCHEMBL7065166 0.86 VCP (0.45) VCPGSK3BDRD2DRD4DRD3
SCHEMBL5868849 0.86 KCNQ4 (0.41) GSK3BSIRT2SIRT1HDAC1KCNQ4
SCHEMBL5868942 0.86 ERCC5 (0.44) GSK3B
SCHEMBL5868908 0.85 PLAU (0.45) VCPGSK3B
SCHEMBL5868884 0.84 HDAC2 (0.37) GSK3BSIRT2SIRT1HDAC1KCNQ4

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 VCP 3851/4885GSK3B 4288/4885DRD2 63/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 VCP 4009/4885GSK3B 4274/4885DRD2 98/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 VCP 4009/4885GSK3B 4274/4885DRD2 98/4885

“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.