SCHEMBL5222008

SCHEMBL5222008

CC(C)(C)N(C(=O)O)C(C)(C)COc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPT P10636 1/20 0.41
PPARA Q07869 1/20 0.41
SSTR4 P31391 1/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2D6 P10635 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
HTT P42858 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL18282027 0.86 RXRA (0.41) RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL18281760 0.86 TDP1 (0.41) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL226788 0.83 ALDH1A1 (0.41) SMN1; SMN2MAPTPPARAMEN1KMT2A
SCHEMBL227546 0.83 ALDH1A1 (0.46) RAB9AMAPTPPARA
SCHEMBL12466170 0.74 NCEH1 (0.49) RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL5724626 0.73 PPARA (0.58) ALOX15PPARASSTR4
SCHEMBL13583780 0.72
SCHEMBL7805112 0.72 PPARA (0.49) RAB9AALOX15MAPTPPARASSTR4
SCHEMBL11847835 0.72 SSTR4 (0.50) RAB9ANPC1ALOX15MAPTPPARA
SCHEMBL2517194 0.70 ALDH1A1 (0.60) ALOX15PPARASSTR4ALPLALPI

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 RAB9A 2403/4885SMN1; SMN2 478/4885NPC1 1554/4885

“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.