SCHEMBL5557136

SCHEMBL5557136

CC(C)C1Oc2ccccc2C(C(=O)NC(C)(C)C)N(CCc2c[nH]c3ccccc23)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALOX15 P16050 2/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GHSR Q92847 3/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
HTR1A P08908 2/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL5561024 0.91 PTGS1 (0.40) MAPTALDH1A1HTTKDM4ERXFP1
SCHEMBL5561127 0.91 MEN1 (0.39) MAPTALDH1A1HTTKDM4ERXFP1
SCHEMBL5561821 0.89 MEN1 (0.45) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL5561309 0.89 ALDH1A1 (0.43) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL5563134 0.88 MC4R (0.39) MAPTALDH1A1HTTKDM4ERXFP1
SCHEMBL5556110 0.87 MTNR1A (0.44) MAPTALDH1A1HTTKDM4ERXFP1
SCHEMBL5562035 0.83 ALDH1A1 (0.42) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL5557097 0.80 ALDH1A1 (0.42) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6025784 0.80 MC4R (0.43) MAPTALDH1A1HTTKDM4ERXFP1
SCHEMBL5560832 0.79 PTGS1 (0.43) MAPTALDH1A1KDM4EMEN1KMT2A

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 MAPT 318/4885ALDH1A1 724/4885HTT 716/4885

“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.