SCHEMBL5561871

SCHEMBL5561871

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 5/20 0.42
ALDH1A1 P00352 5/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALOX15 P16050 3/20 0.41
HSD17B10 Q99714 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL5555430 0.91 GAA (0.44) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL5555423 0.87 THRB (0.48) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL5561968 0.75 MTNR1A (0.41) MEN1KMT2AMAPTALDH1A1
SCHEMBL5556110 0.74 MTNR1A (0.44) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL5562035 0.74 ALDH1A1 (0.42) MEN1KMT2AMAPTALDH1A1
SCHEMBL5557136 0.74 MAPT (0.41) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL5561969 0.72 MEN1 (0.45) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL5561821 0.71 MEN1 (0.45) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL6025784 0.70 MC4R (0.43) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL5563134 0.70 MC4R (0.39) MEN1KMT2AMAPTALDH1A1HTT

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.