SCHEMBL5556785

SCHEMBL5556785

CCN(CC)c1ccc2c(c1)OC(C(C)C)C(=O)N(Cc1ccc(Cl)cc1F)C2C(=O)NCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.38
KCNA5 P22460 2/20 0.35
MAPT P10636 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
PPARG P37231 1/20 0.34
PANK3 Q9H999 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GFER P55789 1/20 0.33

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
SCHEMBL5561335 0.84 ALDH1A1 (0.44) KCNA5MAPTTP53ALDH1A1
SCHEMBL5561954 0.81 MAPT (0.40) P2RX7KCNA5MAPTTP53GAA
SCHEMBL5562392 0.80 MAPT (0.47) P2RX7KCNA5MAPTTP53GAA
SCHEMBL5560845 0.79 MAPT (0.40) P2RX7KCNA5MAPTTP53GAA
SCHEMBL5556045 0.79 ALDH1A1 (0.40) MAPTTP53GAAALDH1A1
SCHEMBL5562363 0.79 MEN1 (0.40) MAPTTP53GAAALDH1A1GFER
SCHEMBL5562782 0.78 KDM4E (0.36) P2RX7MAPTTP53PPARGALDH1A1
SCHEMBL5555839 0.77 KCNA5 (0.40) KCNA5MAPTTP53GFER
SCHEMBL5562246 0.77 KCNA5 (0.40) KCNA5MAPTTP53GAAALDH1A1
SCHEMBL5556632 0.77 MAPT (0.40) MAPTTP53GAAALDH1A1GFER

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 P2RX7 769/4885KCNA5 355/4885MAPT 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.