SCHEMBL5555909

SCHEMBL5555909

CCOc1cccc2c1OC(C(C)C)C(=O)N(Cc1ccc(N(C)C)cc1)C2C(=O)NC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HCRTR2 O43614 5/20 0.34
HCRTR1 O43613 4/20 0.34
KCNA5 P22460 9/20 0.34
KCNH2 Q12809 5/20 0.34

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
SCHEMBL5561538 0.88 MAPT (0.37) LMNAMAPTTHRBTDP1KDM4E
SCHEMBL5561533 0.87 THRB (0.50) MAPTTHRBALDH1A1GAANPSR1
SCHEMBL5556744 0.78 KCNA5 (0.32) LMNAMAPTTHRBTDP1KDM4E
SCHEMBL5556322 0.72 KMT2A (0.44) MAPTMEN1ALDH1A1GAAKMT2A
SCHEMBL5561938 0.72 THRB (0.37) MAPTTHRBKDM4EMEN1ALDH1A1
SCHEMBL5555549 0.72 HCRTR1 (0.40) LMNAMAPTKDM4EALDH1A1KMT2A
SCHEMBL5556588 0.71 KCNA5 (0.33) KCNA5KCNH2
SCHEMBL5561933 0.71 THRB (0.52) MAPTTHRBMEN1ALDH1A1GAA
SCHEMBL6026874 0.70 ACKR3 (0.38) KDM4EALDH1A1GAA
SCHEMBL5443004 0.70 MAPT (0.46) MAPTTHRBTDP1KDM4EMEN1

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 LMNA 759/4885MAPT 318/4885THRB 927/4885

“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.