SCHEMBL5561024

SCHEMBL5561024

CC(C)C1Oc2ccc(Cl)cc2C(C(=O)NC(C)(C)C)N(CCc2c[nH]c3ccccc23)C1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
ALOX15 P16050 2/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CDK2 P24941 1/20 0.38
GOT1 P17174 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
SCHEMBL5561127 0.92 MEN1 (0.39) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL5557136 0.91 MAPT (0.41) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL5557097 0.89 ALDH1A1 (0.42) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL6025784 0.89 MC4R (0.43) PTGS1MAPTALDH1A1HTTMEN1
SCHEMBL5560832 0.88 PTGS1 (0.43) PTGS1MAPTALDH1A1MEN1KMT2A
SCHEMBL5561821 0.86 MEN1 (0.45) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL5563134 0.84 MC4R (0.39) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL5561309 0.83 ALDH1A1 (0.43) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL5562035 0.81 ALDH1A1 (0.42) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL5561897 0.80 MEN1 (0.47) PTGS1MAPTMEN1KMT2ANPC1

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 218/4885MAPT 318/4885ALDH1A1 724/4885

“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.