SCHEMBL5221965

SCHEMBL5221965

N[C@@H](Cc1ccccc1)[C@H](O)CNCC1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.43
F2 P00734 2/20 0.41
CSNK1E P49674 1/20 0.41
CTSD P07339 2/20 0.41
BACE1 P56817 2/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
BCHE P06276 2/20 0.39
KCNH3 Q9ULD8 1/20 0.38
EPHX1 P07099 1/20 0.38
CSF1R P07333 1/20 0.37
SLC6A4 P31645 1/20 0.37
MMP2 P08253 1/20 0.36
SLC15A1 P46059 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
SCHEMBL4689837 0.90 SIGMAR1 (0.49) F2CSNK1EBACE1SIGMAR1BCHE
Hydrochloric Acid SCHEMBL5216127 0.89 SIGMAR1 (0.48) F2CSNK1EBACE1SIGMAR1BCHE
SCHEMBL5217605 0.86 SLC6A4 (0.48) F2CSNK1ESIGMAR1BCHESLC6A4
SCHEMBL6111515 0.83 GRIN2B (0.43) TACR2F2CSNK1ECTSDBACE1
SCHEMBL4689291 0.83 GRIN2B (0.43) TACR2F2CSNK1ECTSDBACE1
SCHEMBL6893033 0.81 HPGD (0.50)
SCHEMBL3353372 0.81 HPGD (0.50)
SCHEMBL5217274 0.81 BACE1 (0.52) CTSDBACE1BACE2BCHE
SCHEMBL5217284 0.81 BACE1 (0.52) CTSDBACE1BACE2BCHE
SCHEMBL7300383 0.80 CSNK1E (0.54) F2CSNK1ESIGMAR1BCHEEPHX1

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 TACR2 1961/4885F2 4696/4885CSNK1E 1649/4885

“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.