SCHEMBL5217437

SCHEMBL5217437

CC(C)(C)NC[C@@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.51
F2 P00734 2/20 0.47
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 1/20 0.46
EPHX1 P07099 1/20 0.46
CYP2D6 P10635 2/20 0.45
BCHE P06276 1/20 0.44
SLC6A2 P23975 2/20 0.43
TAAR1 Q96RJ0 2/20 0.43
MAOA P21397 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
NFKB1 P19838 1/20 0.43
HIF1A Q16665 1/20 0.43
CYP2A6 P11509 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43

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
SCHEMBL5217674 0.88 CSNK1E (0.49) CSNK1EF2ADRB2EPHX1CYP2D6
SCHEMBL5396321 0.86 CSNK1E (0.51) CSNK1EF2EPHX1BCHESLC6A2
SCHEMBL5224458 0.86 BACE1 (0.56) CSNK1EF2EPHX1BCHESLC6A2
SCHEMBL5218444 0.85 CSNK1E (0.47) CSNK1EF2EPHX1BCHESLC6A2
Hydrochloric Acid SCHEMBL5217528 0.85 CSNK1E (0.50) CSNK1EF2EPHX1BCHE
SCHEMBL4689465 0.84 CSNK1E (0.46) CSNK1EF2ADRB2ADRB1ADRB3
SCHEMBL496397 0.81 CSNK1E (0.55) CSNK1EF2EPHX1SLC6A2TAAR1
SCHEMBL14416465 0.81 CSNK1E (0.55) CSNK1EF2EPHX1SLC6A2TAAR1
SCHEMBL5382613 0.81 CSNK1E (0.55) CSNK1EF2EPHX1SLC6A2TAAR1
SCHEMBL7300383 0.81 CSNK1E (0.54) CSNK1EF2EPHX1BCHESLC6A2

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 4 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-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-10-12 US 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 (2 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-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease BACE2, BACE1, PSEN2 CSNK1E 580/4885F2 4637/4885ADRB2 61/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 CSNK1E 1649/4885F2 4696/4885ADRB2 56/4885

“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.