SCHEMBL5221314

SCHEMBL5221314

CC(C)(C)N(C(=O)O)[C@@H](Cc1ccsc1)[C@H]1CO1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.39
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
OPRM1 P35372 8/20 0.35
OPRD1 P41143 5/20 0.35
OPRK1 P41145 5/20 0.35
HSD11B1 P28845 2/20 0.34
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
OPRL1 P41146 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34

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
SCHEMBL5221308 1.00 MME (0.39) MMECTSSCTSKOPRM1OPRD1
SCHEMBL718201 0.83 MEN1 (0.39) PTGS1
SCHEMBL4221112 0.83 MEN1 (0.39) PTGS1
SCHEMBL4510553 0.83 MEN1 (0.39) PTGS1
SCHEMBL2176148 0.83 MEN1 (0.39) PTGS1
SCHEMBL5217921 0.79 CYP2C19 (0.46) CTSSCTSKHSD11B1
SCHEMBL5217915 0.79 CYP2C19 (0.46) CTSSCTSKHSD11B1
SCHEMBL4891373 0.78 BACE1 (0.36)
SCHEMBL3027776 0.78 BACE1 (0.36)
SCHEMBL970613 0.77 TAS2R14 (0.37) GRM2GRM3

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 MME 9/4885CTSS 313/4885CTSK 526/4885

“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.