SCHEMBL5221072

SCHEMBL5221072

COc1ccc(CNC[C@@H](O)[C@@H](N)Cc2ccccc2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.52
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
BCHE P06276 3/20 0.49
ADRB2 P07550 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
CTSD P07339 2/20 0.47

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
SCHEMBL3355147 0.91 GAA (0.52) F2KMT2ABCHEMAPTKDM4E
SCHEMBL4048957 0.88 ADRB2 (0.65) HTTMEN1KMT2AADRB2CYP3A4
SCHEMBL3354597 0.88 F2 (0.54) F2MEN1KMT2ABCHELMNA
SCHEMBL165644 0.84 BCHE (0.61) MEN1KMT2ABCHECTSD
SCHEMBL4214871 0.84 BCHE (0.61) MEN1KMT2ABCHECTSD
SCHEMBL3350556 0.84 ANPEP (0.53) F2HTTSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL5348922 0.83 BCHE (0.60) MEN1KMT2ABCHECTSD
Hydrochloric Acid SCHEMBL6110582 0.83 BCHE (0.60) MEN1KMT2ABCHECTSD
SCHEMBL3352016 0.82 BCHE (0.51) F2MEN1KMT2ABCHECTSD
SCHEMBL5216965 0.82 BCHE (0.69) F2SMN1; SMN2MEN1KMT2ABCHE

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 5 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
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 WO 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 F2 4696/4885HTT 26/4885SMN1; SMN2 478/4885

“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.