SCHEMBL5221595

SCHEMBL5221595

CCCNc1cc(C(=O)O)cc(N2CCCCC2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
CTSD P07339 11/20 0.48
BACE1 P56817 11/20 0.48
BACE2 Q9Y5Z0 10/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 2/20 0.44
GFER P55789 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
SCHEMBL5222224 0.98 ALDH1A1 (0.51) USP2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5217257 0.91 ALDH1A1 (0.50) USP2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5221127 0.90 CTSD (0.56) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5217571 0.89 CTSD (0.51) USP2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5222337 0.89 USP2 (0.46) USP2ALDH1A1HPGDCTSDBACE1
SCHEMBL5221058 0.88 USP2 (0.46) USP2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5219440 0.88 CTSD (0.58) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5222498 0.85 CTSD (0.51) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5223595 0.84 ALDH1A1 (0.55) USP2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5221415 0.83 ALDH1A1 (0.51) USP2ALDH1A1CYP1A2CYP3A4CYP2D6

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 USP2 508/4885ALDH1A1 3102/4885CYP1A2 2757/4885

“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.