SCHEMBL5388752

SCHEMBL5388752

CC(C)NC[C@@H](O)[C@H](Cc1ccccc1)n1cnc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.51
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ADRB2 P07550 3/20 0.43
ADRB1 P08588 3/20 0.43
ADRB3 P13945 3/20 0.43
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
AGER Q15109 2/20 0.39
APAF1 O14727 1/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
TNF P01375 1/20 0.39
ASAH1 Q13510 1/20 0.38
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL9740610 0.79 HDAC8 (0.56) HDAC8MEN1HPGDKMT2AHSD17B10
SCHEMBL5393318 0.79 HDAC8 (0.45) HDAC8MEN1HPGDKMT2AHSD17B10
SCHEMBL4087403 0.76 HDAC8 (0.59) HDAC8MEN1HPGDKMT2AHSD17B10
SCHEMBL14064674 0.70 SMN1; SMN2 (0.52) HDAC8MEN1HPGDKMT2AHSD17B10
SCHEMBL250816 0.70 MEN1 (0.64) HDAC8MEN1HPGDKMT2AHSD17B10
SCHEMBL8870347 0.69 HDAC8 (0.57) HDAC8MEN1HPGDKMT2AHSD17B10
SCHEMBL5382881 0.68 CSNK1E (0.53) ADRB2ADRB1ADRB3CYP2D6BCHE
SCHEMBL18529469 0.68 HDAC8 (1.00) HDAC8ASAH1
SCHEMBL13870966 0.68 SLC6A2 (0.61) MEN1HPGDKMT2AHSD17B10
SCHEMBL4077117 0.68 SLC6A2 (0.61) MEN1HPGDKMT2AHSD17B10

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 2 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
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 HDAC8 731/4885MEN1 586/4885HPGD 2131/4885

“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.