SCHEMBL5216936

SCHEMBL5216936

CCCCn1ccc2c(N3CCCC3=O)cc(C(=O)OC)cc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.44
CTSD P07339 1/20 0.43
BACE2 Q9Y5Z0 1/20 0.43
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 3/20 0.39
HPGD P15428 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.37
USP2 O75604 2/20 0.37
TP53 P04637 1/20 0.36
TLR8 Q9NR97 1/20 0.36

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
SCHEMBL5389115 0.97 BACE1 (0.43) BACE1CTSDBACE2ALDH1A1HSD17B10
SCHEMBL5223578 0.91 BACE1 (0.45) BACE1CTSDBACE2ALDH1A1HSD17B10
SCHEMBL5222810 0.89 BACE1 (0.51) BACE1CTSDBACE2ALDH1A1HSD17B10
SCHEMBL5219794 0.88 BACE1 (0.44) BACE1CTSDBACE2ALDH1A1HSD17B10
SCHEMBL5222417 0.84 CYP2C9 (0.42) BACE1CTSDBACE2ALDH1A1MAPT
SCHEMBL5225090 0.79 BACE1 (0.53) BACE1CTSDBACE2ALDH1A1HSD17B10
SCHEMBL5396304 0.78 ALDH1A1 (0.39) BACE1CTSDBACE2ALDH1A1HSD17B10
SCHEMBL14418356 0.78 KDM5A (0.41) ALDH1A1HSD17B10MAPTHPGDTLR8
SCHEMBL3349935 0.77 MGLL (0.42) ALDH1A1HSD17B10MAPTCYP2C9HPGD
SCHEMBL5395792 0.75 ALDH1A1 (0.38) ALDH1A1HSD17B10TP53

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 384/4885BACE2 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.