SCHEMBL3887197

SCHEMBL3887197

CC(C)(COCCN1CCC(O)CC1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.51
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
CHRM5 P08912 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 3/20 0.42
MAOB P27338 1/20 0.42
LTA4H P09960 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SLC18A3 Q16572 1/20 0.42

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
SCHEMBL3897250 0.83 MEN1 (0.40) MEN1KMT2AHRH3MAOBSLC18A3
SCHEMBL3884684 0.79 MEN1 (0.44) CHRM2CHRM1MEN1KMT2AKCNH2
SCHEMBL25377221 0.78 SLC6A1 (0.59) KCNA3CHRM2CHRM4CHRM5CHRM1
SCHEMBL31057462 0.77 LTA4H (0.61) KCNA3MEN1KMT2AHRH3LTA4H
SCHEMBL4128034 0.76 ALDH1A1 (0.50) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL3958257 0.75 HRH3 (0.58) KCNA3MEN1KMT2AHRH3LTA4H
SCHEMBL22458726 0.74 KCNA3 (0.53) KCNA3CHRM2CHRM4CHRM5CHRM1
SCHEMBL3884639 0.74 LTA4H (0.47) KCNA3CHRM2CHRM1KCNH2HRH3
SCHEMBL98426 0.73 LTA4H (0.66) KCNA3HRH3LTA4H
SCHEMBL27735073 0.73 HSP90AA1 (0.38) KCNA3CHRM3

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
CN-101395150-A Phenethanolamine derivatives as beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-03-25 CN disclosed
US-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2009-01-29 US disclosed
EP-2013197-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2009-01-14 EP disclosed
WO-2007102771-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-13 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-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRA2A KCNA3 417/4885CHRM2 11/4885CHRM4 71/4885

“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.