SCHEMBL5560808

SCHEMBL5560808

CCCCNC(=O)C1c2cc(Br)ccc2OC(C(C)C)C(=O)N1Cc1ccc(N(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.37
KCNH2 Q12809 1/20 0.37
MAPT P10636 4/20 0.34
KMT2A Q03164 2/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
ALDH1A1 P00352 4/20 0.33
UBE2N P61088 1/20 0.33
LMNA P02545 3/20 0.33
TSHR P16473 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
TP53 P04637 1/20 0.33
CNR2 P34972 1/20 0.32
MEN1 O00255 1/20 0.32
APP P05067 1/20 0.31
GFER P55789 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL5556238 0.92 KCNA5 (0.43) KCNA5KCNH2MAPTKMT2AHCRTR1
SCHEMBL5556322 0.88 KMT2A (0.44) KCNA5KCNH2MAPTKMT2AHCRTR1
SCHEMBL5556744 0.87 KCNA5 (0.32) KCNA5KCNH2MAPTKMT2AALDH1A1
SCHEMBL5555513 0.85 LRRK2 (0.35) MAPTKMT2AALDH1A1LMNATSHR
SCHEMBL5555549 0.85 HCRTR1 (0.40) KCNA5KCNH2MAPTKMT2AHCRTR1
SCHEMBL5555512 0.85 MAPT (0.42) MAPTALDH1A1TSHRTP53GFER
SCHEMBL5555742 0.84 ALOX5 (0.40) KCNA5KCNH2KMT2AALDH1A1TSHR
SCHEMBL5555488 0.84 LMNA (0.40) KCNA5KCNH2MAPTKMT2AHCRTR1
SCHEMBL5561715 0.83 KCNA5 (0.41) KCNA5KCNH2MAPTKMT2AALDH1A1
SCHEMBL5560845 0.79 MAPT (0.40) KCNA5MAPTLMNATP53NPSR1

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 733/4885MAPT 318/4885

“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.