SCHEMBL6164899

SCHEMBL6164899

CC(C)(C)OC(=O)CC(=O)c1cccc(-n2ncnc2COC2CCCCO2)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.37
EP300 Q09472 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HSD11B1 P28845 1/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
PTGER1 P34995 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PLOD2 O00469 1/20 0.32
PLOD3 O60568 1/20 0.32
PLOD1 Q02809 1/20 0.32
NR3C1 P04150 1/20 0.32

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
SCHEMBL6165266 0.87 GAA (0.40) CREBBPEP300MEN1KMT2AMAPT
SCHEMBL6165357 0.83 HSD11B1 (0.40) CREBBPEP300MEN1KMT2AHSD11B1
SCHEMBL6166837 0.81 MLLT3 (0.42) CREBBPEP300MEN1KMT2AHSD11B1
SCHEMBL6433217 0.81 CREBBP (0.33) CREBBPEP300MEN1KMT2A
SCHEMBL6165510 0.79 EP300 (0.31) CREBBPEP300MEN1KMT2A
SCHEMBL6165683 0.79 CREBBP (0.32) CREBBPEP300MEN1KMT2A
SCHEMBL6167137 0.78 HSD11B1 (0.42) MEN1KMT2AHSD11B1
SCHEMBL6165029 0.78 EP300 (0.31) CREBBPEP300
SCHEMBL6164758 0.77 CREBBP (0.37) CREBBPEP300MEN1KMT2AHSD11B1
SCHEMBL5557855 0.77 USP30 (0.38) CREBBPEP300MEN1KMT2A

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
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
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 CREBBP 970/4885EP300 3193/4885MEN1 1887/4885
US-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives BDKRB1, BDKRB2, GRIN1 CREBBP 841/4885EP300 2777/4885MEN1 1315/4885

“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.