SCHEMBL5555449

SCHEMBL5555449

CC(C)C1Oc2ccc(Br)cc2C(C(=O)Nc2ccccc2)N(C2CCOC2=O)C1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
KDM4C Q9H3R0 1/20 0.34
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.32
PKM P14618 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NFKB1 P19838 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
MAOB P27338 2/20 0.32
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
MAPK8 P45983 1/20 0.32
OGA O60502 1/20 0.32
LMNA P02545 1/20 0.31
XIAP P98170 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
SCHEMBL5555442 0.85 CCR1 (0.40) NPC1RAB9AKDM4CMAPTSMN1; SMN2
SCHEMBL5562221 0.82 SMN1; SMN2 (0.35) NPC1RAB9AMAPTGAASMN1; SMN2
SCHEMBL5562639 0.77 LMNA (0.33) NPC1RAB9AKDM4CMAPTGAA
SCHEMBL5556397 0.76 MAPT (0.39) MAPTGAAPKMSMN1; SMN2LMNA
SCHEMBL5561326 0.76 ALDH1A1 (0.34) NPC1RAB9AGAANFKB1NFKB2
SCHEMBL6027008 0.75 XIAP (0.41) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL5562092 0.75 LMNA (0.34) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL5561812 0.74 MEN1 (0.37) NPC1RAB9AMAPTGAA
SCHEMBL6027502 0.73 MEN1 (0.37) KDM4CLMNA
SCHEMBL5555513 0.73 LRRK2 (0.35) MAPTGAAPKMLMNA

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 NPC1 1062/4885RAB9A 2966/4885KDM4C 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.