SCHEMBL5563002

SCHEMBL5563002

COc1ccc2c(c1)OC(C(C)C)C(=O)N(Cc1cccnc1)C2C(=O)Nc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 5/20 0.45
GAA P10253 3/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 1/20 0.43
RXFP1 Q9HBX9 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CACNA1G O43497 2/20 0.42
CACNA1H O95180 2/20 0.42
CACNA1I Q9P0X4 2/20 0.42

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
SCHEMBL5561645 0.89 TDP1 (0.43) POLBTP53MAPTMEN1KMT2A
SCHEMBL5561834 0.88 ALDH1A1 (0.44) POLBTP53MAPTMEN1KMT2A
SCHEMBL5563041 0.86 GAA (0.39) TP53MAPTMEN1KMT2AALDH1A1
SCHEMBL5562995 0.86 F2 (0.46) POLBMAPTALDH1A1TSHRRXFP1
SCHEMBL5561387 0.85 GAA (0.40) TP53MAPTMEN1KMT2AALDH1A1
SCHEMBL5556191 0.85 ALDH1A1 (0.43) POLBTP53MAPTMEN1KMT2A
SCHEMBL5561530 0.84 MDM2 (0.41) POLBTP53MAPTMEN1KMT2A
SCHEMBL5560965 0.84 RORC (0.38) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL5563683 0.83 PTGER3 (0.42) TP53MAPTMEN1KMT2AALDH1A1
SCHEMBL5556296 0.82 TP53 (0.42) POLBTP53MAPTMEN1KMT2A

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 POLB 2503/4885TP53 4110/4885MAPT 318/4885

“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.