SCHEMBL5555549

SCHEMBL5555549

CCCCNC(=O)C1c2cc(Br)cc(OC)c2OC(C(C)C)C(=O)N1Cc1ccc(N(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
TP53 P04637 1/20 0.38
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNA5 P22460 2/20 0.34
KCNH2 Q12809 1/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL5443004 0.86 MAPT (0.46) KMT2AMAPTALDH1A1KDM4EPOLB
SCHEMBL5560808 0.85 KCNA5 (0.37) HCRTR1HCRTR2TP53HDAC1KMT2A
SCHEMBL5555488 0.82 LMNA (0.40) HCRTR1HCRTR2TP53KMT2AKCNA5
SCHEMBL5556238 0.80 KCNA5 (0.43) HCRTR1HCRTR2TP53HDAC1KMT2A
SCHEMBL5556322 0.80 KMT2A (0.44) HCRTR1HCRTR2TP53HDAC1KMT2A
SCHEMBL5562138 0.77 NPC1 (0.47) KMT2ALMNANPC1SMN1; SMN2
SCHEMBL5561621 0.77 MAPT (0.40) KMT2ALMNANPC1MAPTALDH1A1
SCHEMBL5561142 0.73 MAPT (0.36) TP53HDAC1HDAC6KMT2ALMNA
SCHEMBL5556744 0.72 KCNA5 (0.32) HDAC1HDAC6KMT2AKCNA5KCNH2
SCHEMBL5555909 0.72 LMNA (0.36) HCRTR1HCRTR2KMT2AKCNA5KCNH2

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
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
EP-1631296-A1 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 F. HOFFMANN-LA ROCHE AG (CH) 2006-03-08 EP disclosed
WO-2004100958-A1 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 F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 WO 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 HCRTR1 1044/4885HCRTR2 635/4885TP53 4110/4885

“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.