SCHEMBL6163346

SCHEMBL6163346

CC(C)(C)OC(=O)CC(=O)c1cccc(-n2cccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 8/20 0.47
LMNA P02545 1/20 0.46
GPR119 Q8TDV5 1/20 0.42
DGAT2 Q96PD7 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PLOD2 O00469 1/20 0.40
PLOD3 O60568 1/20 0.40
PLOD1 Q02809 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
GLS O94925 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL6163456 0.85 NOTUM (0.47) LMNAKDM4EPLOD2PLOD3PLOD1
SCHEMBL27519236 0.84 KAT6A (0.48) KAT6ALMNAGPR119DGAT2KDM4E
SCHEMBL5868921 0.82 GPR119 (0.43) LMNAGPR119PLOD2PLOD3PLOD1
SCHEMBL6607286 0.81 LMNA (0.64) KAT6ALMNADGAT2PLOD2PLOD3
SCHEMBL5868879 0.80 L3MBTL1 (0.51) LMNAGPR119PLOD2PLOD3PLOD1
SCHEMBL12883023 0.79 LMNA (0.51) KAT6ALMNADGAT2KDM4EPLOD2
SCHEMBL5868871 0.79 CYP3A4 (0.40) KDM4EPLOD2PLOD3PLOD1ALDH1A1
SCHEMBL5869107 0.79 TP53 (0.40) LMNAKDM4EPLOD2PLOD3PLOD1
SCHEMBL24247727 0.77 KAT6A (0.49) KAT6ALMNADGAT2PLOD2PLOD3
SCHEMBL12664126 0.77 KAT6A (0.53) KAT6ALMNAKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1268626-C Dihydro-benzo(b)(1,4)diazepin-2-one derivatives as mglur2 antagonists I HOFFMANN LA ROCHE (CH) 2006-08-09 CN disclosed
CN-1264825-C Dihydro-benzo [ b ] [1,4] diazepin * -2-one derivatives as mGluR2 antagonists II HOFFMANN LA ROCHE (CH) 2006-07-19 CN disclosed
EP-1379511-B1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II HOFFMANN LA ROCHE (CH) 2005-07-20 EP disclosed
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
CN-1535266-A Dihydro-benzo [b][1,4] diazepin-2-one derivatives as mglur 2 antagonists II - 2004-10-06 CN disclosed
CN-1522252-A Dihydro-benzo(b)(1,4)diazepin-2-one derivatives as mglur2 antagonists I - 2004-08-18 CN 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
EP-1379511-A1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II 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-6544985-B2 For therapy of acute and/or chronic neurological disorders such as psychosis, schizophrenia, Alzheimer's disease, cognitive disorders and memory deficits HOFFMAN-LA ROCHE INC. 2003-04-08 US disclosed
US-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US disclosed
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2002-12-19 US disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 WO 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 (2 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-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 KAT6A 3557/4885LMNA 2394/4885GPR119 1166/4885
US-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives BDKRB1, BDKRB2, GRIN1 KAT6A 3330/4885LMNA 3113/4885GPR119 1351/4885

“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.