SCHEMBL5432002

SCHEMBL5432002

CC1(C)OCc2cc([C@@H](O)CNCCc3cccc(COCCCc4ccccc4)c3)ccc2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.47
ADRB1 P08588 7/20 0.47
DRD2 P14416 5/20 0.47
DRD4 P21917 5/20 0.47
DRD3 P35462 5/20 0.47
DRD1 P21728 4/20 0.47
ADRB3 P13945 7/20 0.42
KDM4E B2RXH2 1/20 0.42
HTR1A P08908 1/20 0.42
CHRM5 P08912 1/20 0.42
ADRA2B P18089 1/20 0.42
SLC6A2 P23975 1/20 0.42
FPR3 P25089 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
GPR183 P32249 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
SCHEMBL5433683 0.97 ADRB2 (0.45) ADRB2ADRB1DRD2DRD4DRD3
SCHEMBL5434320 0.95 ADRB2 (0.43) ADRB2ADRB1DRD2DRD4DRD3
SCHEMBL5423178 0.94 ADRB2 (0.43) ADRB2ADRB1DRD2DRD4DRD3
SCHEMBL5436285 0.93 ADRB2 (0.42) ADRB2ADRB1DRD2DRD4DRD3
SCHEMBL5431193 0.91 ADRB2 (0.45) ADRB2ADRB1DRD2DRD4DRD3
SCHEMBL5434290 0.90 ADRB1 (0.41) ADRB2ADRB1DRD2DRD4DRD3
SCHEMBL14357338 0.87 ADRB2 (0.57) ADRB2ADRB1DRD2DRD4DRD3
SCHEMBL14357339 0.87 ADRB2 (0.57) ADRB2ADRB1DRD2DRD4DRD3
SCHEMBL2829651 0.87 ADRB2 (0.57) ADRB2ADRB1DRD2DRD4DRD3
SCHEMBL5432708 0.86 ADRB1 (0.40) ADRB2ADRB1ADRB3KDM4ESLC6A4

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-20070135490-A1 Phenetanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-06-14 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-20070135490-A1 Phenetanolamine derivatives ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885DRD2 254/4885

“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.