SCHEMBL5560832

SCHEMBL5560832

CCCCNC(=O)C1c2cc(Cl)ccc2OC(C(C)C)C(=O)N1CCc1c[nH]c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.43
KCNA5 P22460 2/20 0.42
KCNH2 Q12809 1/20 0.42
MTNR1A P48039 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SIRT1 Q96EB6 1/20 0.41
GOT1 P17174 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GFER P55789 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
CDK2 P24941 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5556554 0.92 MEN1 (0.43) MTNR1ANPC1RAB9AMEN1KMT2A
SCHEMBL5556110 0.92 MTNR1A (0.44) KCNA5MTNR1AMEN1KMT2AHSD17B10
SCHEMBL6025784 0.90 MC4R (0.43) PTGS1NPC1RAB9AMEN1KMT2A
SCHEMBL5561024 0.88 PTGS1 (0.40) PTGS1NPC1RAB9AMEN1KMT2A
SCHEMBL5561127 0.80 MEN1 (0.39) MEN1KMT2AHSD17B10CDK2ALDH1A1
SCHEMBL5561897 0.79 MEN1 (0.47) PTGS1NPC1RAB9AMEN1KMT2A
SCHEMBL5557136 0.79 MAPT (0.41) RAB9AMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL5563229 0.78 RAB9A (0.40) MTNR1ANPC1RAB9AMEN1KMT2A
SCHEMBL5557097 0.77 ALDH1A1 (0.42) MTNR1ANPC1RAB9AMEN1KMT2A
SCHEMBL5556238 0.76 KCNA5 (0.43) KCNA5KCNH2KMT2AHDAC8ALDH1A1

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 PTGS1 218/4885KCNA5 355/4885KCNH2 733/4885

“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.