SCHEMBL5563229

SCHEMBL5563229

COc1ccc2[nH]cc(CCN3C(=O)C(C(C)C)Oc4ccc(Cl)cc4C3C(=O)NCC(=O)OC(C)(C)C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MTNR1A P48039 6/20 0.40
MTNR1B P49286 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SNCA P37840 3/20 0.40
MAPT P10636 4/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A1 P04798 1/20 0.39
MPO P05164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
NQO2 P16083 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
SCHEMBL5557097 0.90 ALDH1A1 (0.42) RAB9ANPC1MTNR1AMTNR1BALDH1A1
SCHEMBL5561897 0.86 MEN1 (0.47) RAB9ANPC1SNCAMAPTKMT2A
SCHEMBL5561891 0.85 LMNA (0.46) RAB9ANPC1MTNR1AMTNR1BALDH1A1
SCHEMBL5561309 0.81 ALDH1A1 (0.43) RAB9ANPC1MTNR1AMTNR1BALDH1A1
SCHEMBL5557132 0.79 PTPRC (0.34) ALDH1A1MAPTLMNA
SCHEMBL5561024 0.79 PTGS1 (0.40) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL5561282 0.78 MEN1 (0.50) RAB9ANPC1MTNR1AMTNR1BALDH1A1
SCHEMBL6025784 0.78 MC4R (0.43) RAB9ANPC1ALDH1A1SNCAMAPT
SCHEMBL5560832 0.78 PTGS1 (0.43) RAB9ANPC1MTNR1AALDH1A1MAPT
SCHEMBL5561491 0.77 ALDH1A1 (0.34) RAB9ANPC1ALDH1A1MAPTKMT2A

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 5 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
EP-1631296-A1 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 F. HOFFMANN-LA ROCHE AG (CH) 2006-03-08 EP disclosed
WO-2004100958-A1 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 F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 WO 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 RAB9A 2966/4885NPC1 1062/4885MTNR1A 908/4885

“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.