SCHEMBL5217658

SCHEMBL5217658

CCc1coc2c(N3CCCC3=O)cc(C(=O)OC)cc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.49
BACE1 P56817 1/20 0.49
BACE2 Q9Y5Z0 1/20 0.49
USP2 O75604 1/20 0.39
CYP2C9 P11712 3/20 0.39
HPGD P15428 2/20 0.39
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NQO2 P16083 2/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.35
CDK2 P24941 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CASP6 P55212 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL5222894 0.91 CTSD (0.51) CTSDBACE1BACE2USP2CYP2C9
SCHEMBL5223336 0.86 CYP2C9 (0.44) CTSDBACE1BACE2USP2CYP2C9
SCHEMBL5221466 0.76 GAA (0.44) CTSDBACE1BACE2USP2CYP2C9
SCHEMBL5394165 0.76 CTSD (0.42) CTSDBACE1BACE2USP2CYP2C9
SCHEMBL5223591 0.75 CYP2C9 (0.45) CYP2C9HPGDCYP3A4ALDH1A1MEN1
SCHEMBL5219674 0.75 CYP2C9 (0.45) CYP2C9HPGDCYP3A4ALDH1A1MEN1
SCHEMBL5223383 0.72 CTSD (0.47) CTSDBACE1BACE2USP2CYP2C9
SCHEMBL5222810 0.72 BACE1 (0.51) CTSDBACE1BACE2USP2CYP2C9
SCHEMBL5219617 0.72 HSD17B10 (0.50) USP2CYP2C9HPGDCYP3A4ALDH1A1
SCHEMBL5218289 0.71 CTSD (0.50) CTSDBACE1BACE2CYP2C9HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 WO 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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 CTSD 384/4885BACE1 3/4885BACE2 1/4885

“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.