SCHEMBL3889638

SCHEMBL3889638

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
HRH3 Q9Y5N1 3/20 0.42
KDM4E B2RXH2 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
ACHE P22303 2/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 1/20 0.40
SLC6A2 P23975 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
KCNH2 Q12809 1/20 0.40
PRMT6 Q96LA8 2/20 0.40

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
SCHEMBL3884639 0.83 LTA4H (0.47) TMEM97SIGMAR1HRH3KDM4ENPSR1
SCHEMBL3887004 0.79 SLC6A4 (0.43) TMEM97SIGMAR1HRH3SLC6A4SLC6A3
SCHEMBL3887187 0.76 HRH3 (0.54) SIGMAR1HRH3ACHE
Methyl Alcohol SCHEMBL27735067 0.76 HRH3 (0.51) SIGMAR1HRH3ACHE
SCHEMBL3897250 0.76 MEN1 (0.40) HRH3KDM4EHTR1A
SCHEMBL7829844 0.75 ACHE (0.63) SIGMAR1KDM4ESLC6A3ACHEKCNH2
SCHEMBL17842340 0.74 TMEM97 (0.61) TMEM97SIGMAR1KDM4EHTR1ACHRM1
Hydrochloric Acid SCHEMBL27678283 0.74 ACHE (0.61) SIGMAR1KDM4ESLC6A3ACHEKCNH2
SCHEMBL700085 0.72 ACHE (0.61) SIGMAR1ACHEDRD3
SCHEMBL28532094 0.72 ACHE (0.61) SIGMAR1ACHEDRD3

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 TMEM97 665/4885SIGMAR1 1619/4885HRH3 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.