SCHEMBL5556164

SCHEMBL5556164

COc1ccc2[nH]cc(CCN3C(=O)C(C(C)C)Oc4c(OC)cc(Br)cc4C3C(=O)NC(C)(C)C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ABCG2 Q9UNQ0 5/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MTNR1A P48039 6/20 0.39
MTNR1B P49286 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HTR1A P08908 2/20 0.38
CYP1A1 P04798 1/20 0.38
MPO P05164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 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
SCHEMBL5562035 0.92 ALDH1A1 (0.42) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL5561157 0.90 RAB9A (0.44) ALDH1A1MAPTL3MBTL1ABCG2RAB9A
SCHEMBL5556324 0.89 MEN1 (0.46) MAPTABCG2RAB9ANPC1KMT2A
SCHEMBL5556320 0.89 LMNA (0.44) ALDH1A1MAPTL3MBTL1ABCG2RAB9A
SCHEMBL6028398 0.88 ABCG2 (0.41) ALDH1A1MAPTL3MBTL1ABCG2RAB9A
SCHEMBL5556348 0.87 MTNR1A (0.41) ALDH1A1MAPTL3MBTL1ABCG2RAB9A
SCHEMBL5561309 0.85 ALDH1A1 (0.43) ALDH1A1MAPTL3MBTL1RAB9ANPC1
SCHEMBL5557097 0.84 ALDH1A1 (0.42) ALDH1A1MAPTL3MBTL1RAB9ANPC1
SCHEMBL5561821 0.81 MEN1 (0.45) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL5561968 0.78 MTNR1A (0.41) ALDH1A1MAPTL3MBTL1ABCG2RAB9A

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 ALDH1A1 724/4885MAPT 318/4885L3MBTL1 4664/4885

“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.