SCHEMBL5563683

SCHEMBL5563683

COc1ccc2c(c1)OC(C(C)C)C(=O)N(Cc1ccccc1Cl)C2C(=O)Nc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 4/20 0.42
KCNA5 P22460 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.38
RORC P51449 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PSMB5 P28074 1/20 0.37

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
SCHEMBL5563041 0.89 GAA (0.39) KCNA5KCNH2MAPTNPSR1MEN1
SCHEMBL5563681 0.86 TP53 (0.54) MAPTNPSR1MAPK1MEN1KMT2A
SCHEMBL5560965 0.86 RORC (0.38) KCNA5KCNH2MAPTNPSR1MAPK1
SCHEMBL5562166 0.85 MAPT (0.42) PTGER3MAPTMEN1GAAHTT
SCHEMBL5561387 0.85 GAA (0.40) MAPTMAPK1MEN1GAAHTT
SCHEMBL5562363 0.85 MEN1 (0.40) PTGER3MAPTNPSR1MAPK1MEN1
SCHEMBL5556397 0.83 MAPT (0.39) PTGER3MAPTMEN1GAAHTT
SCHEMBL5563002 0.83 POLB (0.48) MAPTNPSR1MAPK1MEN1GAA
SCHEMBL5561969 0.79 MEN1 (0.45) MAPTMAPK1MEN1KMT2AALDH1A1
SCHEMBL5562167 0.78 ACHE (0.45) MAPTKMT2AALDH1A1KDM4E

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 3 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
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 PTGER3 125/4885KCNA5 355/4885KCNH2 733/4885

“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.