SCHEMBL5562995

SCHEMBL5562995

COc1ccc2c(c1)OC(C(C)C)C(=O)N(Cc1cccnc1)C2C(=O)NC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.46
CASP1 P29466 2/20 0.42
C3AR1 Q16581 1/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
BRD4 O60885 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
ACKR3 P25106 3/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5561640 0.88 CASP1 (0.46) CASP1ALDH1A1TSHRBRD4MAPT
SCHEMBL5561834 0.87 ALDH1A1 (0.44) ALDH1A1TSHRPOLBRXFP1TDP1
SCHEMBL5563002 0.86 POLB (0.48) ALDH1A1TSHRPOLBRXFP1TDP1
SCHEMBL5563034 0.86 F2 (0.46) F2CASP1ALDH1A1TSHRACKR3
SCHEMBL5556188 0.85 C3AR1 (0.49) CASP1C3AR1ALDH1A1BRD4ACKR3
SCHEMBL5561380 0.85 F2 (0.45) F2CASP1ALDH1A1TSHRACKR3
SCHEMBL5561526 0.85 CASP1 (0.43) CASP1C3AR1TSHRBRD4ACKR3
SCHEMBL5560963 0.84 F2 (0.48) F2CASP1ALDH1A1TSHRACKR3
SCHEMBL5562367 0.84 MCHR1 (0.51) F2ALDH1A1MAPT
SCHEMBL5563681 0.83 TP53 (0.54) F2ALDH1A1TSHRRXFP1MAPK1

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 F2 1939/4885CASP1 976/4885C3AR1 4531/4885

“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.