SCHEMBL5561335

SCHEMBL5561335

CCN(CC)c1ccc2c(c1)OC(C(C)C)C(=O)N(Cc1ccco1)C2C(=O)NCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.40
PKM P14618 2/20 0.39
HTT P42858 2/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
KCNA5 P22460 1/20 0.37
TSHR P16473 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
SCHEMBL5556785 0.84 P2RX7 (0.38) ALDH1A1TP53KCNA5MAPT
SCHEMBL5561542 0.79 KCNA5 (0.41) SMN1; SMN2KCNA5NPC1
SCHEMBL5556045 0.77 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2PKMHTTTP53
SCHEMBL5561822 0.76 LMNA (0.40) ALDH1A1SMN1; SMN2LMNAKCNA5
SCHEMBL5562516 0.76 FAAH (0.40) ALDH1A1SMN1; SMN2HTTLMNAMAPT
SCHEMBL5562246 0.76 KCNA5 (0.40) ALDH1A1SMN1; SMN2HTTTP53LMNA
SCHEMBL5556632 0.76 MAPT (0.40) ALDH1A1SMN1; SMN2PKMHTTTP53
SCHEMBL5561753 0.76 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAMAPTNPC1
SCHEMBL5562392 0.76 MAPT (0.47) ALDH1A1SMN1; SMN2TP53LMNAKCNA5
SCHEMBL5562363 0.75 MEN1 (0.40) ALDH1A1SMN1; SMN2PKMHTTTP53

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 724/4885SMN1; SMN2 2144/4885PKM 4308/4885

“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.