SCHEMBL5221942

SCHEMBL5221942

CC(C)(C)OC(=O)c1cc(N2CCOCC2)cc(N2CCCCC2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HPGD P15428 3/20 0.44
USP30 Q70CQ3 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.38
SRD5A1 P18405 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
KMO O15229 1/20 0.37
AKT1 P31749 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
TSHR P16473 2/20 0.35
PRKDC P78527 1/20 0.35

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
SCHEMBL5224185 0.92 HPGD (0.43) ALDH1A1HPGDKMT2AKDM4ECYP1A2
SCHEMBL5218821 0.91 HPGD (0.42) ALDH1A1HPGDKMT2AKDM4ECYP1A2
SCHEMBL5220346 0.83 ALDH1A1 (0.50) ALDH1A1HPGDKMT2AKDM4ECYP1A2
SCHEMBL5222147 0.83 ALDH1A1 (0.53) ALDH1A1HPGDKMT2AKDM4ECYP1A2
SCHEMBL5219080 0.81 HPGD (0.42) ALDH1A1HPGDKMT2AKDM4ECYP1A2
SCHEMBL5219456 0.80 ALDH1A1 (0.56) ALDH1A1HPGDKMT2AKDM4ECYP1A2
SCHEMBL5221426 0.79 MEN1 (0.44) ALDH1A1HPGDKMT2ACYP1A2CYP3A4
SCHEMBL5221158 0.78 MEN1 (0.48) ALDH1A1HPGDKMT2AKDM4ECYP1A2
SCHEMBL5216902 0.77 ALDH1A1 (0.39) ALDH1A1HPGDKMT2AKDM4ECYP1A2
SCHEMBL5216908 0.77 ALDH1A1 (0.39) ALDH1A1HPGDKMT2AKDM4ECYP1A2

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 ALDH1A1 3102/4885HPGD 2131/4885USP30 1875/4885

“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.