SCHEMBL3885320

SCHEMBL3885320

CC(C)(C)OC(=O)CCCN1CCC(=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.38
SIGMAR1 Q99720 3/20 0.36
HRH3 Q9Y5N1 1/20 0.35
DRD2 P14416 6/20 0.35
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
EPHX2 P34913 1/20 0.34
NR3C1 P04150 1/20 0.34

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
SCHEMBL4133149 0.90 CNR1 (0.39) SIGMAR1DRD2SMN1; SMN2NR3C1
SCHEMBL25634866 0.87 PAOX (0.42) HTR4SIGMAR1DRD2CYP1A2MAPK1
SCHEMBL25369363 0.82 CYP1A2 (0.55) HTR4SIGMAR1HRH3CYP1A2MAPK1
SCHEMBL7347272 0.80 PLA2G10 (0.42) HTR4NR3C1
SCHEMBL21946902 0.79 MEN1 (0.42) HTR4SIGMAR1CYP1A2MAPK1SMN1; SMN2
SCHEMBL22608823 0.79 SIGMAR1 (0.37) HTR4SIGMAR1HRH3DRD2CYP1A2
SCHEMBL24966338 0.79 SIGMAR1 (0.37) HTR4SIGMAR1DRD2CYP1A2MAPK1
SCHEMBL10867514 0.79 CYP1A2 (0.44) HTR4CYP1A2
SCHEMBL22608846 0.78 USP2 (0.46) SIGMAR1SMN1; SMN2EPHX2
SCHEMBL27055101 0.78 ALDH1A1 (0.46) HTR4HRH3CYP1A2MAPK1SMN1; SMN2

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 HTR4 146/4885SIGMAR1 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.