SCHEMBL5223062

SCHEMBL5223062

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.56
CTSD P07339 8/20 0.56
KLK5 Q9Y337 3/20 0.54
BACE2 Q9Y5Z0 3/20 0.49
ALDH1A1 P00352 4/20 0.48
HTT P42858 2/20 0.48
SCN9A Q15858 1/20 0.47
KDM4E B2RXH2 3/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADRB3 P13945 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL5222976 0.94 KLK5 (0.53) BACE1CTSDKLK5BACE2SCN9A
SCHEMBL5404137 0.94 KLK5 (0.53) BACE1CTSDKLK5BACE2SCN9A
SCHEMBL5404127 0.94 KLK5 (0.53) BACE1CTSDKLK5BACE2SCN9A
SCHEMBL13307722 0.85 BACE1 (0.60) BACE1CTSD
SCHEMBL13307719 0.85 BACE1 (0.60) BACE1CTSD
SCHEMBL5221574 0.82 KLK5 (0.60) BACE1CTSDKLK5BACE2
SCHEMBL5221580 0.82 KLK5 (0.60) BACE1CTSDKLK5BACE2
SCHEMBL5928550 0.82 KLK5 (0.60) BACE1CTSDKLK5BACE2
SCHEMBL5222884 0.81 KLK5 (0.59) BACE1CTSDKLK5BACE2
SCHEMBL5222893 0.81 KLK5 (0.59) BACE1CTSDKLK5BACE2

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
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

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 BACE1 3/4885CTSD 384/4885KLK5 3361/4885

“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.