SCHEMBL4130481

SCHEMBL4130481

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 4/20 0.46
NR1H2 P55055 1/20 0.39
CHRM1 P11229 3/20 0.38
CHRM2 P08172 2/20 0.38
HTR1A P08908 2/20 0.38
ADRA2A P08913 2/20 0.38
ADRA1A P35348 2/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
CHRM3 P20309 1/20 0.38
DRD4 P21917 1/20 0.38
ADRA1D P25100 1/20 0.38
HRH1 P35367 1/20 0.38
ADRA1B P35368 1/20 0.38
HRH3 Q9Y5N1 3/20 0.37
ACHE P22303 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GNAO1 P09471 1/20 0.35

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
SCHEMBL17963509 0.91 SMN1; SMN2 (0.44) HTR4NR1H2HRH3ACHESMN1; SMN2
SCHEMBL25634866 0.84 PAOX (0.42) HTR4HTR1ADRD2SMN1; SMN2EPHX2
SCHEMBL18716950 0.82 SMN1; SMN2 (0.44) HTR4CHRM1CHRM2HTR1AADRA2A
SCHEMBL18173283 0.81 NR1H2 (0.43) HTR4NR1H2SMN1; SMN2MEN1KMT2A
SCHEMBL3885968 0.81 HTR4 (0.41) HTR4CHRM1CHRM2HTR1AADRA2A
SCHEMBL7419075 0.81 SMN1; SMN2 (0.43) HTR4NR1H2CHRM1CHRM2HTR1A
SCHEMBL21946902 0.80 MEN1 (0.42) HTR4CHRM1CHRM2CHRM4CHRM5
SCHEMBL24269226 0.80 HTR4 (0.40) HTR4CHRM1CHRM2HTR1AADRA2A
SCHEMBL25369363 0.80 CYP1A2 (0.55) HTR4HTR1AADRA2AHRH3ACHE
SCHEMBL22181464 0.78 NR1H2 (0.36) NR1H2DRD2HRH3ACHEGNAO1

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 1 patent. 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

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 146/4885NR1H2 158/4885CHRM1 26/4885

“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.