SCHEMBL5556348

SCHEMBL5556348

CCOc1cccc2c1OC(C(C)C)C(=O)N(CCc1c[nH]c3ccc(OC)cc13)C2C(=O)NC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.41
ABCG2 Q9UNQ0 11/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A4 P31645 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MTNR1B P49286 1/20 0.39

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
SCHEMBL5561968 0.90 MTNR1A (0.41) MTNR1AABCG2ALDH1A1MAPTL3MBTL1
SCHEMBL5562108 0.90 MEN1 (0.48) MTNR1AABCG2MAPTSLC6A4NPC1
SCHEMBL5562105 0.89 LMNA (0.44) MTNR1AABCG2ALDH1A1MAPTL3MBTL1
SCHEMBL5561309 0.87 ALDH1A1 (0.43) MTNR1AALDH1A1MAPTL3MBTL1SLC6A4
SCHEMBL5556164 0.87 ALDH1A1 (0.41) MTNR1AABCG2ALDH1A1MAPTL3MBTL1
SCHEMBL5557097 0.83 ALDH1A1 (0.42) MTNR1AALDH1A1MAPTL3MBTL1NPC1
SCHEMBL5561821 0.83 MEN1 (0.45) ALDH1A1MAPTNPC1RAB9A
SCHEMBL5555430 0.80 GAA (0.44) ALDH1A1MAPT
SCHEMBL5562035 0.80 ALDH1A1 (0.42) ALDH1A1MAPTNPC1RAB9A
SCHEMBL5561871 0.80 GAA (0.47) ALDH1A1MAPT

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 6 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 claimed
US-7060698-B2 Benzoxazepinone derivatives HOFFMANN-LA ROCHE INC. (US) 2006-06-13 US claimed
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 claimed
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 MTNR1A 908/4885ABCG2 2506/4885ALDH1A1 724/4885

“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.