SCHEMBL717681

SCHEMBL717681

CCn1cc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
BACE1 P56817 10/20 0.53
CTSD P07339 3/20 0.53
BACE2 Q9Y5Z0 3/20 0.53
KLK5 Q9Y337 3/20 0.49
BCHE P06276 4/20 0.46
SLC6A11 P48066 1/20 0.45
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43

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
SCHEMBL717679 1.00 ATM (0.53) ATMBACE1CTSDBACE2KLK5
SCHEMBL5404100 0.89 ATM (0.55) ATMBACE1KLK5BCHESLC6A11
SCHEMBL5404095 0.89 ATM (0.55) ATMBACE1KLK5BCHESLC6A11
SCHEMBL495727 0.85 ATM (0.72) ATMBACE1KLK5BCHESLC6A11
SCHEMBL495728 0.85 ATM (0.72) ATMBACE1KLK5BCHESLC6A11
SCHEMBL4809494 0.85 ATM (0.72) ATMBACE1KLK5BCHESLC6A11
SCHEMBL30318989 0.85 ATM (0.72) ATMBACE1KLK5BCHESLC6A11
SCHEMBL22192884 0.85 ATM (0.72) ATMBACE1KLK5BCHESLC6A11
SCHEMBL7309908 0.82 KLK5 (0.65) ATMBACE1KLK5BCHESLC6A11
SCHEMBL5223284 0.81 KLK5 (0.61) ATMBACE1KLK5BCHEPSEN1

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-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
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 (2 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 870/4885BACE1 3/4885CTSD 384/4885
US-20120053200-A1 BACE 2 INHIBITORS BACE2, BACE1, PSEN2 ATM 4650/4885BACE1 2/4885CTSD 138/4885

“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.