SCHEMBL5563134

SCHEMBL5563134

CCN(CC)c1ccc2c(c1)OC(C(C)C)C(=O)N(CCc1c[nH]c3ccccc13)C2C(=O)NC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.39
MAPT P10636 4/20 0.38
ALOX15 P16050 2/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MC5R P33032 1/20 0.36
MC3R P41968 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GHSR Q92847 1/20 0.35

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
SCHEMBL5556105 0.90 MC4R (0.40) MC4RMAPTALOX15TSHRALDH1A1
SCHEMBL5556100 0.88 ADRA2A (0.42) MC4RMAPTTSHRALDH1A1HTT
SCHEMBL5557136 0.88 MAPT (0.41) MAPTALOX15TSHRALDH1A1HTT
SCHEMBL5561821 0.87 MEN1 (0.45) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL5561024 0.84 PTGS1 (0.40) MAPTALOX15TSHRALDH1A1HTT
SCHEMBL5561127 0.84 MEN1 (0.39) MAPTALOX15TSHRALDH1A1HTT
SCHEMBL5561309 0.80 ALDH1A1 (0.43) MAPTALDH1A1KDM4EPOLBHSD17B10
SCHEMBL5561140 0.80 MTNR1A (0.43) MAPTALDH1A1KDM4EPOLBHSD17B10
SCHEMBL5563053 0.79 KCNA5 (0.37) MAPT
SCHEMBL5556588 0.78 KCNA5 (0.33)

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 MC4R 3054/4885MAPT 318/4885ALOX15 452/4885

“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.