SCHEMBL5562166

SCHEMBL5562166

CC(C)C1Oc2ccc(Cl)cc2C(C(=O)Nc2ccccc2)N(Cc2ccccc2Cl)C1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
HTT P42858 3/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
P2RX7 Q99572 2/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.38
PTGER3 P43115 2/20 0.38
HPGD P15428 1/20 0.38
CCKBR P32239 2/20 0.38
FAAH O00519 1/20 0.37
KDM4E B2RXH2 1/20 0.36
XIAP P98170 1/20 0.36
ACKR3 P25106 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL5556397 0.92 MAPT (0.39) MAPTHTTMEN1GAAKMT2A
SCHEMBL5562782 0.90 KDM4E (0.36) MAPTALDH1A1LMNAP2RX7TP53
SCHEMBL5561481 0.86 ALOX15 (0.46) MAPTHTTMEN1GAAKMT2A
SCHEMBL5561610 0.86 ALDH1A1 (0.37) MAPTMEN1KMT2AALDH1A1PKM
SCHEMBL5563683 0.85 PTGER3 (0.42) MAPTHTTMEN1GAAKMT2A
SCHEMBL5562162 0.85 TP53 (0.58) MAPTHTTALDH1A1LMNAP2RX7
SCHEMBL6027202 0.85 AKR1B1 (0.35) MAPTGAAKMT2AALDH1A1LMNA
SCHEMBL5562363 0.84 MEN1 (0.40) MAPTHTTMEN1GAAKMT2A
SCHEMBL5556630 0.84 CCKBR (0.36) MAPTMEN1KMT2AALDH1A1PKM
SCHEMBL5556191 0.84 ALDH1A1 (0.43) MAPTMEN1KMT2AALDH1A1LMNA

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 318/4885HTT 716/4885MEN1 4394/4885

“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.