SCHEMBL5555754

SCHEMBL5555754

CC(C)C1Oc2ccc(Br)cc2C(C(=O)NC2CCCCC2)N(CCc2ccc([N+](=O)[O-])cc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.42
CCR1 P32246 4/20 0.40
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.38
EPHX2 P34913 3/20 0.37
TSHR P16473 2/20 0.36
XIAP P98170 1/20 0.36
BIRC2 Q13490 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 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
SCHEMBL5555581 0.85 CCR1 (0.37) CCR1MAPTALDH1A1EPHX2
SCHEMBL5561323 0.82 CCR1 (0.46) CCR1MAPTALDH1A1EPHX2TSHR
SCHEMBL5562635 0.80 MAPT (0.43) CCR1MAPTALDH1A1EPHX2TSHR
SCHEMBL5555512 0.80 MAPT (0.42) EPHX1CCR1MAPTALDH1A1TSHR
SCHEMBL5556404 0.79 MAPT (0.42) CCR1MAPTALDH1A1TSHRCYP3A4
SCHEMBL5562089 0.77 MAPT (0.44) CCR1MAPTALDH1A1TSHRCYP3A4
SCHEMBL5561526 0.77 CASP1 (0.43) CCR1MAPTTSHRLMNA
SCHEMBL5556392 0.77 TP53 (0.56) CCR1MAPTALDH1A1TSHRCYP3A4
SCHEMBL5561543 0.76 ACKR3 (0.43) CCR1MAPTEPHX2
SCHEMBL5561678 0.75 MAPT (0.44) CCR1MAPT

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 EPHX1 291/4885CCR1 4708/4885MAPT 318/4885

“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.