SCHEMBL5562162

SCHEMBL5562162

CC(C)C1Oc2ccc(Cl)cc2C(C(=O)NC2CCCCC2)N(Cc2ccccc2Cl)C1=O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.58
THRB P10828 2/20 0.44
ALDH1A1 P00352 5/20 0.44
TSHR P16473 4/20 0.44
ALOX15 P16050 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
MCHR1 Q99705 1/20 0.43
HTT P42858 2/20 0.42
HPGD P15428 1/20 0.42
F2 P00734 1/20 0.42
MAPT P10636 2/20 0.42
CCR1 P32246 1/20 0.42
P2RX7 Q99572 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL5556392 0.93 TP53 (0.56) TP53THRBALDH1A1TSHRALOX15
SCHEMBL5562780 0.88 TP53 (0.43) TP53THRBNPSR1MCHR1F2
SCHEMBL5561477 0.87 TP53 (0.59) TP53THRBALDH1A1TSHRALOX15
SCHEMBL5563681 0.86 TP53 (0.54) TP53THRBALDH1A1TSHRALOX15
SCHEMBL5561607 0.86 CCR1 (0.41) TP53ALDH1A1TSHRNPSR1KDM4E
SCHEMBL5562166 0.85 MAPT (0.42) TP53ALDH1A1TSHRKDM4EHTT
SCHEMBL5562359 0.85 TP53 (0.53) TP53THRBALDH1A1TSHRALOX15
SCHEMBL5561678 0.84 MAPT (0.44) TP53THRBNPSR1MCHR1F2
SCHEMBL5556188 0.84 C3AR1 (0.49) ALDH1A1MAPTCCR1P2RX7
SCHEMBL5556619 0.83 CCR1 (0.47) TP53ALDH1A1TSHRHTTMAPT

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 TP53 4110/4885THRB 927/4885ALDH1A1 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.