SCHEMBL5561576

SCHEMBL5561576

CC(C)C1Oc2ccc(Br)cc2C(C(=O)NC(C)(C)C)N(CC(N)=O)C1=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 11/20 0.33
KCNH2 Q12809 4/20 0.33
KDM4C Q9H3R0 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CCR1 P32246 2/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
BCL2 P10415 1/20 0.30
ALDH1A1 P00352 2/20 0.30
TSHR P16473 2/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL5561772 0.83 KCNA5 (0.38) KCNA5KCNH2
SCHEMBL5563325 0.83 MAPT (0.38) KCNA5KCNH2POLBKMT2AALDH1A1
SCHEMBL5556744 0.82 KCNA5 (0.32) KCNA5KCNH2KMT2AALDH1A1
SCHEMBL5556335 0.81 MDM2 (0.39) POLBKMT2AALDH1A1
SCHEMBL5561303 0.80 NPC1 (0.34) KCNA5KCNH2NPC1RAB9ACCR1
SCHEMBL5561299 0.79 CCR1 (0.37) KDM4CCCR1POLBKMT2AALDH1A1
SCHEMBL5562682 0.75 XIAP (0.40) POLBKMT2AALDH1A1TSHR
SCHEMBL5562639 0.73 LMNA (0.33) KDM4CNPC1RAB9AKMT2AALDH1A1
SCHEMBL5561907 0.73 KCNA5 (0.40) KCNA5KCNH2
SCHEMBL5562635 0.73 MAPT (0.43) CCR1ALDH1A1TSHR

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 KCNA5 355/4885KCNH2 733/4885KDM4C 1499/4885

“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.