SCHEMBL3884639

SCHEMBL3884639

CC(C)(Cc1ccccc1)OCCN1CCC(O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.47
KCNA3 P22001 2/20 0.47
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
HRH3 Q9Y5N1 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ACHE P22303 2/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
TBXA2R P21731 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1A P35348 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
SCHEMBL3889638 0.83 TMEM97 (0.43) LTA4HTMEM97SIGMAR1SLC6A4SLC6A3
SCHEMBL3887004 0.80 SLC6A4 (0.43) LTA4HTMEM97SIGMAR1SLC6A4SLC6A3
SCHEMBL25377221 0.77 SLC6A1 (0.59) LTA4HKCNA3SLC6A4SLC6A3HRH3
SCHEMBL3952085 0.76 ALDH1A1 (0.52) NPC1RAB9AKDM4E
SCHEMBL31057462 0.76 LTA4H (0.61) LTA4HKCNA3TMEM97SIGMAR1HRH3
SCHEMBL3958257 0.74 HRH3 (0.58) LTA4HKCNA3SIGMAR1HRH3NPC1
SCHEMBL4296034 0.74 KCNH2 (0.45) LTA4HKCNA3HRH3RAB9AKDM4E
SCHEMBL3887197 0.74 KCNA3 (0.51) LTA4HKCNA3SLC6A4SLC6A3HRH3
SCHEMBL4255190 0.73 ACHE (0.69) KCNA3SIGMAR1SLC6A3KDM4EACHE
SCHEMBL98426 0.72 LTA4H (0.66) LTA4HKCNA3TMEM97SIGMAR1HRH3

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 LTA4H 470/4885KCNA3 417/4885TMEM97 665/4885

“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.