SCHEMBL3897250

SCHEMBL3897250

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 13/20 0.40
MAOB P27338 1/20 0.40
SLC18A3 Q16572 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL3887197 0.83 KCNA3 (0.51) MEN1KMT2AHRH3MAOBSLC18A3
SCHEMBL3884684 0.79 MEN1 (0.44) MEN1KMT2AHRH3HTR1AALDH1A1
SCHEMBL3887187 0.77 HRH3 (0.54) MEN1KMT2AHRH3
Methyl Alcohol SCHEMBL27735067 0.77 HRH3 (0.51) HRH3
SCHEMBL4048099 0.76 SIGMAR1 (0.42) HTR1AHTR7
SCHEMBL4048093 0.76 SIGMAR1 (0.42) HTR1AHTR7
SCHEMBL3889638 0.76 TMEM97 (0.43) HRH3KDM4EHTR1A
SCHEMBL17842340 0.75 TMEM97 (0.61) KDM4EHTR1AHTR7
SCHEMBL9020873 0.72 SIGMAR1 (0.59)
SCHEMBL7829844 0.70 ACHE (0.63) KDM4E

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 1329/4885HRH3 21/4885

“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.