SCHEMBL5226010

SCHEMBL5226010

CCCCCNC[C@@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.65
SIGMAR1 Q99720 1/20 0.50
REN P00797 3/20 0.46
BCHE P06276 2/20 0.44
F2 P00734 2/20 0.43
ANPEP P15144 2/20 0.43
ERAP2 Q6P179 1/20 0.43
LAP3 P28838 3/20 0.42
RNPEP Q9H4A4 1/20 0.42
DNPEP Q9ULA0 1/20 0.42
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX1 P07099 1/20 0.41
TRPA1 O75762 1/20 0.41

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
Hydrochloric Acid SCHEMBL5219096 0.97 CSNK1E (0.66) CSNK1ESIGMAR1RENBCHEF2
SCHEMBL6890116 0.96 CSNK1E (0.62) CSNK1ESIGMAR1RENBCHEF2
SCHEMBL3355145 0.96 CSNK1E (0.62) CSNK1ESIGMAR1RENBCHEF2
Hydrochloric Acid SCHEMBL5218980 0.94 CSNK1E (0.61) CSNK1ESIGMAR1RENBCHEF2
SCHEMBL14627960 0.93 CSNK1E (0.53) CSNK1EBCHEF2ANPEPERAP2
SCHEMBL5930069 0.90 CSNK1E (0.57) CSNK1ESIGMAR1RENBCHEF2
Hydrochloric Acid SCHEMBL4692753 0.88 CSNK1E (0.56) CSNK1ESIGMAR1RENBCHEF2
SCHEMBL3349124 0.88 CSNK1E (0.54) CSNK1ESIGMAR1RENBCHEF2
SCHEMBL6891598 0.88 CSNK1E (0.54) CSNK1ESIGMAR1RENBCHEF2
SCHEMBL3349626 0.87 CSNK1E (0.48) CSNK1EBCHEF2ANPEPLAP3

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 CSNK1E 1649/4885SIGMAR1 2908/4885REN 2941/4885

“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.