SCHEMBL5556444

SCHEMBL5556444

COc1ccc2c(c1)OC(C(C)C)C(=O)N(C1CCCc3ccccc31)C2C(=O)NC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 6/20 0.40
XIAP P98170 2/20 0.40
BIRC3 Q13489 2/20 0.40
BIRC2 Q13490 2/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
KCNA5 P22460 1/20 0.38
KCNH2 Q12809 1/20 0.38
ATM Q13315 1/20 0.38
NR3C2 P08235 1/20 0.37
GID4 Q8IVV7 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
SCHEMBL5562153 0.89 MEN1 (0.44) MEN1KMT2AALDH1A1XIAPBIRC3
SCHEMBL5562150 0.89 MEN1 (0.45) MEN1KMT2AALDH1A1XIAPBIRC3
SCHEMBL5556694 0.87 MEN1 (0.42) MEN1KMT2AALDH1A1XIAPBIRC3
SCHEMBL5562214 0.86 XIAP (0.38) MEN1KMT2AALDH1A1XIAPBIRC3
SCHEMBL5562682 0.85 XIAP (0.40) KMT2AALDH1A1XIAPBIRC3BIRC2
SCHEMBL5562059 0.84 CYP3A4 (0.39) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL5556165 0.79 ACHE (0.45) KMT2AALDH1A1KDM4EKCNA5KCNH2
SCHEMBL5562069 0.79 KCNA5 (0.45) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL5438340 0.75 GHSR (0.41) MEN1KMT2AALDH1A1XIAPBIRC3
SCHEMBL5438333 0.75 TSHR (0.42) MEN1KMT2AALDH1A1XIAPBIRC3

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-1631296-B1 2,3,4,5-TETRAHYDROBENZO¬F|¬1,4|OXAZEPINE-5-CARBOXYLIC ACID AMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE HOFFMANN LA ROCHE (CH) 2007-04-25 EP disclosed
US-7060698-B2 Benzoxazepinone derivatives HOFFMANN-LA ROCHE INC. (US) 2006-06-13 US disclosed
EP-1631296-A1 2,3,4,5-TETRAHYDROBENZO[F][1,4]OXAZEPINE-5-CARBOXYLIC ACID AMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2006-03-08 EP disclosed
WO-2004100958-A1 2, 3, 4, 5-TETRAHYDROBENZO[F][1, 4]OXAZEPINE-5-CARBOXYLIC ACID AMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER’S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 WO disclosed
US-20040235819-A1 5-alkylaminocarbonyl-substituted, e.g., 4-(1-benzyl-piperidin-4-yl)-2-isopropyl-3-oxo-2,3,4,5-tetrahydro-benzo[f][1,4]oxazepine-5-carboxylic acid tert-butylamide; gamma -secretase inhibitors for the treatment of Alzheimer's disease. HOFFMANN-LA ROCHE INC. 2004-11-25 US 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-20040235819-A1 5-alkylaminocarbonyl-substituted, e.g., 4-(1-benzyl-piperidin-4-yl)-2-isopropyl-3-oxo-2,3,4,5-tetrahydro-benzo[f][1,4]oxazepine-5-carboxylic acid tert-butylamide; gamma -secretase inhibitors for the treatment of Alzheimer's disease. BACE1, BACE2, PSEN1 MEN1 4394/4885KMT2A 1779/4885ALDH1A1 724/4885

“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.