SCHEMBL5434320

SCHEMBL5434320

CC1(C)OCc2cc([C@@H](O)CNCCc3cccc(COCCc4ccccc4)c3)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.43
ADRB1 P08588 4/20 0.43
DRD2 P14416 2/20 0.43
DRD1 P21728 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
ADRB3 P13945 3/20 0.42
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC22A1 O15245 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
CHRM1 P11229 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL5423178 0.96 ADRB2 (0.43) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL5432002 0.95 ADRB2 (0.47) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL5436285 0.95 ADRB2 (0.42) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL5433683 0.94 ADRB2 (0.45) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL5431193 0.92 ADRB2 (0.45) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL5432704 0.88 ADRB1 (0.40) ADRB2ADRB1ADRB3KDM4EGAA
SCHEMBL5432708 0.88 ADRB1 (0.40) ADRB2ADRB1ADRB3KDM4EGAA
SCHEMBL5429959 0.87 ADRB3 (0.41) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL5393168 0.87 ADRB2 (0.47) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL5434290 0.87 ADRB1 (0.41) ADRB2ADRB1DRD2DRD1DRD4

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.