SCHEMBL5221058

SCHEMBL5221058

CCCNc1cc(C(=O)OC)cc(N2CCCC2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.46
CTSD P07339 10/20 0.46
BACE1 P56817 10/20 0.46
BACE2 Q9Y5Z0 9/20 0.46
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5222337 0.96 USP2 (0.46) USP2CTSDBACE1BACE2ALDH1A1
SCHEMBL5222055 0.93 ALDH1A1 (0.51) USP2CTSDBACE1BACE2ALDH1A1
SCHEMBL5217461 0.92 ALDH1A1 (0.47) USP2CTSDBACE1BACE2ALDH1A1
SCHEMBL5222224 0.90 ALDH1A1 (0.51) USP2CTSDBACE1BACE2ALDH1A1
SCHEMBL5221595 0.88 USP2 (0.49) USP2CTSDBACE1BACE2ALDH1A1
SCHEMBL5223281 0.87 CTSD (0.48) CTSDBACE1BACE2ALDH1A1GAA
SCHEMBL5224797 0.85 MEN1 (0.44) CTSDBACE1BACE2ALDH1A1GAA
SCHEMBL5220917 0.85 CTSD (0.49) CTSDBACE1BACE2ALDH1A1GAA
SCHEMBL5223014 0.84 CTSD (0.48) CTSDBACE1BACE2ALDH1A1HSD17B10
SCHEMBL5217257 0.83 ALDH1A1 (0.50) USP2CTSDBACE1BACE2ALDH1A1

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 USP2 508/4885CTSD 384/4885BACE1 3/4885

“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.