SCHEMBL3884684

SCHEMBL3884684

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
HRH3 Q9Y5N1 2/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
ACHE P22303 1/20 0.41
SLC6A2 P23975 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPT P10636 2/20 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
SCHEMBL3887197 0.79 KCNA3 (0.51) MEN1KMT2ASLC6A4SLC6A3HRH3
SCHEMBL3897250 0.79 MEN1 (0.40) MEN1KMT2AALDH1A1HRH3HTR1A
SCHEMBL3886147 0.76 LTA4H (0.63) MEN1KMT2AALDH1A1GAAHRH3
SCHEMBL3892994 0.75 HRH3 (0.54) MEN1KMT2AALDH1A1SLC6A4SLC6A3
Methyl Alcohol SCHEMBL27755634 0.74 HRH3 (0.50) ALDH1A1SLC6A4SLC6A3HRH3HTR1A
SCHEMBL31737789 0.74 SMYD2 (0.41) MEN1KMT2AALDH1A1GAAHTR1A
SCHEMBL3887004 0.73 SLC6A4 (0.43) MEN1KMT2AALDH1A1SLC6A4SLC6A3
SCHEMBL8114904 0.72 LTA4H (0.61) MEN1KMT2AALDH1A1HRH3SMN1; SMN2
SCHEMBL6945688 0.72 LTA4H (0.61) MEN1KMT2AALDH1A1HRH3SMN1; SMN2
SCHEMBL6946206 0.71 KDM4E (0.65) ALDH1A1HRH3HTR1ADRD3KCNH2

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 MEN1 1450/4885KMT2A 1329/4885ALDH1A1 2322/4885

“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.