SCHEMBL3887004

SCHEMBL3887004

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 3/20 0.43
HRH3 Q9Y5N1 3/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD1 P21728 1/20 0.43
TBXA2R P21731 1/20 0.43
ACHE P22303 1/20 0.43
SLC6A2 P23975 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
KCNH2 Q12809 1/20 0.43
LTA4H P09960 2/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL3884639 0.80 LTA4H (0.47) SLC6A4SLC6A3HRH3CHRM2HTR1A
SCHEMBL3889638 0.79 TMEM97 (0.43) SLC6A4SLC6A3HRH3CHRM2HTR1A
SCHEMBL3886147 0.75 LTA4H (0.63) HRH3LTA4HALDH1A1SMN1; SMN2MEN1
SCHEMBL3892994 0.74 HRH3 (0.54) SLC6A4SLC6A3HRH3HTR1ASLC6A2
Methyl Alcohol SCHEMBL27755634 0.73 HRH3 (0.50) SLC6A4SLC6A3HRH3HTR1ASLC6A2
SCHEMBL3884684 0.73 MEN1 (0.44) SLC6A4SLC6A3HRH3CHRM2HTR1A
SCHEMBL8108965 0.72 SLC6A3 (0.66) SLC6A3HTR1AACHEKCNH2SIGMAR1
SCHEMBL486687 0.72 SLC6A3 (0.66) SLC6A3HTR1AACHEKCNH2SIGMAR1
SCHEMBL8114904 0.71 LTA4H (0.61) HRH3LTA4HTMEM97SIGMAR1ALDH1A1
SCHEMBL6945688 0.71 LTA4H (0.61) HRH3LTA4HTMEM97SIGMAR1ALDH1A1

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 SLC6A4 3330/4885SLC6A3 3220/4885HRH3 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.