SCHEMBL5555488

SCHEMBL5555488

CCCCNC(=O)C1c2ccc(OC)cc2OC(C(C)C)C(=O)N1Cc1ccc(N(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
MAPK1 P28482 2/20 0.40
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
TP53 P04637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KCNA5 P22460 1/20 0.36
KCNH2 Q12809 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 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
SCHEMBL5561753 0.88 ALDH1A1 (0.39) LMNAMAPK1ALDH1A1SMN1; SMN2KCNH2
SCHEMBL5555802 0.88 HCRTR1 (0.38) LMNAMAPK1NFKB1NFKB2RELA
SCHEMBL5556322 0.87 KMT2A (0.44) HCRTR1HCRTR2TP53ALDH1A1KCNA5
SCHEMBL5562156 0.87 ADRB2 (0.36) LMNAMAPK1TP53ALDH1A1CYP3A4
SCHEMBL5561387 0.86 GAA (0.40) LMNAMAPK1NFKB1NFKB2RELA
SCHEMBL5556238 0.85 KCNA5 (0.43) LMNAHCRTR1HCRTR2TP53ALDH1A1
SCHEMBL5561380 0.85 F2 (0.45) LMNAMAPK1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5560808 0.84 KCNA5 (0.37) LMNAMAPK1HCRTR1HCRTR2TP53
SCHEMBL5562398 0.84 MAPT (0.39) LMNAALDH1A1CYP2C19SMN1; SMN2KCNH2
SCHEMBL5561605 0.82 KCNA5 (0.39) LMNANFKB1NFKB2RELAALDH1A1

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
US-7060698-B2 Benzoxazepinone derivatives HOFFMANN-LA ROCHE INC. (US) 2006-06-13 US claimed
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 claimed
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 759/4885MAPK1 2097/4885NFKB1 199/4885

“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.