SCHEMBL5555430

SCHEMBL5555430

CCOc1cccc2c1OC(C(C)C)C(=O)N(CCc1c[nH]c3ccccc13)C2C(=O)Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 5/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5562108 0.91 MEN1 (0.48) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5561871 0.91 GAA (0.47) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL5555423 0.88 THRB (0.48) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL5561969 0.82 MEN1 (0.45) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL5556105 0.81 MC4R (0.40) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL5556348 0.80 MTNR1A (0.41) MAPTALDH1A1
SCHEMBL5562105 0.79 LMNA (0.44) MAPTALDH1A1KDM4E
SCHEMBL5556324 0.78 MEN1 (0.46) MEN1KMT2AMAPT
SCHEMBL5561938 0.78 THRB (0.37) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL5561282 0.78 MEN1 (0.50) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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 GAA 336/4885MEN1 4394/4885KMT2A 1779/4885

“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.