SCHEMBL5404100

SCHEMBL5404100

Cn1cc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cn1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
KLK5 Q9Y337 3/20 0.51
BACE1 P56817 8/20 0.48
BCHE P06276 5/20 0.48
SLC6A11 P48066 1/20 0.47
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44

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
SCHEMBL5404095 1.00 ATM (0.55) ATMKLK5BACE1BCHESLC6A11
SCHEMBL717681 0.89 ATM (0.53) ATMKLK5BACE1BCHESLC6A11
SCHEMBL717679 0.89 ATM (0.53) ATMKLK5BACE1BCHESLC6A11
SCHEMBL495728 0.87 ATM (0.72) ATMKLK5BACE1BCHESLC6A11
SCHEMBL22192884 0.87 ATM (0.72) ATMKLK5BACE1BCHESLC6A11
SCHEMBL495727 0.87 ATM (0.72) ATMKLK5BACE1BCHESLC6A11
SCHEMBL30318989 0.87 ATM (0.72) ATMKLK5BACE1BCHESLC6A11
SCHEMBL4809494 0.87 ATM (0.72) ATMKLK5BACE1BCHESLC6A11
SCHEMBL7309908 0.83 KLK5 (0.65) ATMKLK5BACE1BCHESLC6A11
SCHEMBL30318978 0.81 BACE1 (0.71) ATMKLK5BACE1BCHESLC6A11

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 2 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
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 ATM 870/4885KLK5 3361/4885BACE1 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.