SCHEMBL5223336

SCHEMBL5223336

COC(=O)c1cc(N2CCCC2=O)c2occ(C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 2/20 0.42
HSD17B10 Q99714 1/20 0.42
USP2 O75604 1/20 0.40
CDK2 P24941 1/20 0.39
CTSD P07339 1/20 0.38
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
SRD5A1 P18405 1/20 0.38
SRD5A2 P31213 1/20 0.38
NPC1 O15118 2/20 0.38
GAA P10253 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.36
CASP6 P55212 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR7 P34969 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
SCHEMBL5221466 0.90 GAA (0.44) CYP2C9CYP3A4HPGDHSD17B10USP2
SCHEMBL5217658 0.86 CTSD (0.49) CYP2C9CYP3A4HPGDHSD17B10USP2
SCHEMBL5223591 0.77 CYP2C9 (0.45) CYP2C9CYP3A4HPGDHSD17B10NPC1
SCHEMBL5219674 0.77 CYP2C9 (0.45) CYP2C9CYP3A4HPGDHSD17B10NPC1
SCHEMBL5222894 0.76 CTSD (0.51) CYP2C9CYP3A4HPGDHSD17B10USP2
SCHEMBL5219617 0.76 HSD17B10 (0.50) CYP2C9CYP3A4HPGDHSD17B10USP2
SCHEMBL5385122 0.75 HSD17B10 (0.44) CYP2C9CYP3A4HPGDHSD17B10USP2
SCHEMBL1479619 0.73 RAB9A (0.53) CYP2C9CYP3A4HPGDHSD17B10SRD5A1
SCHEMBL5219875 0.73 NPC1 (0.47) CYP2C9CYP3A4HPGDHSD17B10SRD5A1
SCHEMBL5219444 0.72 MEN1 (0.56) CYP2C9CYP3A4HPGDNPC1GAA

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 5 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
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 WO 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 CYP2C9 4747/4885CYP3A4 3657/4885HPGD 2131/4885

“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.