SCHEMBL3886869

SCHEMBL3886869

OC1CCN(CCOCCc2c(Cl)cccc2Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.42
ACHE P22303 1/20 0.42
KCNA3 P22001 1/20 0.41
HRH1 P35367 3/20 0.40
HRH2 P25021 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SIGMAR1 Q99720 2/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SLC6A2 P23975 2/20 0.38
SPHK1 Q9NYA1 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A4 P31645 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
SCHEMBL3884344 0.85 ALDH1A1 (0.42) HRH3ACHEKCNA3SMN1; SMN2ALDH1A1
SCHEMBL3888022 0.85 KCNH2 (0.51) KCNA3ALDH1A1KDM4EKMT2AMAPT
SCHEMBL3885392 0.79 HRH3 (0.41) HRH3HRH1HRH2SMN1; SMN2ALDH1A1
SCHEMBL3958257 0.78 HRH3 (0.58) HRH3ACHEKCNA3SIGMAR1MEN1
SCHEMBL3884741 0.77 KMT2A (0.43) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3893734 0.76 S1PR5 (0.40) SMN1; SMN2ALDH1A1TSHRCYP2D6
SCHEMBL31038285 0.74 TAAR1 (0.56) SMN1; SMN2KDM4ELMNAHTTTSHR
SCHEMBL3893665 0.72 HTR7 (0.41) HRH3ACHEKCNA3ALDH1A1KDM4E
SCHEMBL31057462 0.71 LTA4H (0.61) HRH3KCNA3ALDH1A1SIGMAR1KDM4E
SCHEMBL24008405 0.70 KCNH2 (0.50) KCNA3SPHK1KCNH2HTR2CHTR7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HRH3 21/4885ACHE 376/4885KCNA3 417/4885

“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.