SCHEMBL6433933

SCHEMBL6433933

COCCOc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(C#N)c2)cc1-n1cccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EGLN2 Q96KS0 2/20 0.35
RORC P51449 5/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
GSK3B P49841 1/20 0.34
POLB P06746 1/20 0.34
GRM5 P41594 1/20 0.34
HTT P42858 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
ADORA2A P29274 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
SCHEMBL6433579 0.92 KMT2A (0.39) KDM4EALDH1A1RORCSIRT2SIRT1
SCHEMBL7141229 0.84 HTT (0.37) L3MBTL1KDM4EALDH1A1RORCGSK3B
SCHEMBL7142038 0.83 HTT (0.36) L3MBTL1KDM4EALDH1A1EGLN2SIRT2
SCHEMBL6433734 0.82 GSK3B (0.38) L3MBTL1RORCSIRT2SIRT1GSK3B
SCHEMBL7146923 0.82 SLC16A3 (0.36) L3MBTL1KDM4EALDH1A1RORCHTT
SCHEMBL6433641 0.80 KMT2A (0.36) KDM4EALDH1A1RORCSIRT2SIRT1
SCHEMBL6433015 0.77 RXFP1 (0.46) L3MBTL1KDM4EALDH1A1RORCHTT
SCHEMBL7142827 0.77 KMT2A (0.43) KDM4EALDH1A1RORCGSK3BPOLB
SCHEMBL5869052 0.77 GSK3B (0.41) ALDH1A1RORCSIRT2SIRT1GSK3B
SCHEMBL14753361 0.77 GSK3B (0.44) RORCSIRT2SIRT1GSK3BGRM5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379522-B1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I HOFFMANN LA ROCHE (CH) 2005-01-26 EP disclosed
EP-1379522-A1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
US-6548495-B2 Metabotropic glutamate receptor agonist for treatment or prevention of acute and/or chronic neurological disorders HOFFMANN-LA ROCHE INC. 2003-04-15 US disclosed
US-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US disclosed
WO-2002083665-A1 DIHYDRO-BENZO[b][1,4]DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 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 (1 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-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives BDKRB1, BDKRB2, GRIN1 L3MBTL1 3136/4885KDM4E 1334/4885ALDH1A1 422/4885

“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.