SCHEMBL5216965

SCHEMBL5216965

COc1ccccc1CNC[C@@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.69
BACE1 P56817 1/20 0.60
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
F2 P00734 1/20 0.51
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.49
MITF O75030 1/20 0.49
LMNA P02545 1/20 0.49
DNM1 Q05193 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ITGA4 P13612 1/20 0.47
ITGB7 P26010 1/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
CHRM2 P08172 1/20 0.46

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
SCHEMBL4044406 0.88 BCHE (0.55) BCHEBACE1KMT2AF2ALDH1A1
SCHEMBL3348726 0.87 BCHE (0.54) BCHEBACE1MEN1KMT2AF2
Hydrochloric Acid SCHEMBL5220636 0.86 BCHE (0.54) BCHEBACE1KMT2AF2ALDH1A1
SCHEMBL3355205 0.84 BCHE (0.51) BCHEBACE1MEN1KMT2AF2
SCHEMBL3352254 0.83 BCHE (0.48) BCHEBACE1F2ALDH1A1DNM1
SCHEMBL5221072 0.82 F2 (0.52) BCHEMEN1KMT2AF2LMNA
SCHEMBL3354597 0.82 F2 (0.54) BCHEMEN1KMT2AF2GAA
SCHEMBL6894923 0.81 BCHE (0.47) BCHEBACE1F2
SCHEMBL3349188 0.81 BCHE (0.47) BCHEBACE1F2
SCHEMBL5389340 0.81 CTSG (0.50) BCHEBACE1F2ALDH1A1GAA

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 BCHE 11/4885BACE1 3/4885MEN1 586/4885

“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.