SCHEMBL5555442

SCHEMBL5555442

CC(C)C1Oc2ccc(Br)cc2C(C(=O)NC2CCCCC2)N(C2CCOC2=O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 6/20 0.40
MAPT P10636 1/20 0.39
TSHR P16473 3/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX2 P34913 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4C Q9H3R0 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL5562218 0.81 TSHR (0.40) CCR1MAPTTSHRHTTL3MBTL1
SCHEMBL5562635 0.78 MAPT (0.43) CCR1MAPTTSHRHTTL3MBTL1
SCHEMBL5561323 0.78 CCR1 (0.46) CCR1MAPTTSHRHTTL3MBTL1
SCHEMBL5561299 0.77 CCR1 (0.37) CCR1MAPTTSHRSMN1; SMN2EPHX2
SCHEMBL5556392 0.77 TP53 (0.56) CCR1MAPTTSHRHTTTP53
SCHEMBL5561858 0.76 CCR1 (0.36) CCR1TSHRHTTNPC1RAB9A
SCHEMBL5562089 0.76 MAPT (0.44) CCR1MAPTTSHRHTTL3MBTL1
SCHEMBL5555512 0.75 MAPT (0.42) CCR1MAPTTSHRNPC1RAB9A
SCHEMBL5561678 0.75 MAPT (0.44) CCR1MAPTTP53
SCHEMBL6027502 0.74 MEN1 (0.37) CCR1TSHRTP53MEN1KMT2A

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 CCR1 4708/4885MAPT 318/4885TSHR 3014/4885

“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.