SCHEMBL5436285

SCHEMBL5436285

CC1(C)OCc2cc([C@@H](O)CNCCc3cccc(COCc4ccccc4)c3)ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.42
ADRB3 P13945 5/20 0.41
ADRB1 P08588 6/20 0.40
DRD2 P14416 2/20 0.40
DRD1 P21728 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SLC22A1 O15245 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
CHRM1 P11229 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
SLC6A4 P31645 1/20 0.40
OPRM1 P35372 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HIF1A Q16665 1/20 0.40

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 0.97 ADRB2 (0.43) ADRB2ADRB3ADRB1DRD2DRD1
SCHEMBL5434320 0.95 ADRB2 (0.43) ADRB2ADRB3ADRB1DRD2DRD1
SCHEMBL5432002 0.93 ADRB2 (0.47) ADRB2ADRB3ADRB1DRD2DRD1
SCHEMBL5433683 0.92 ADRB2 (0.45) ADRB2ADRB3ADRB1DRD2DRD1
SCHEMBL5431193 0.92 ADRB2 (0.45) ADRB2ADRB3ADRB1DRD2DRD1
SCHEMBL5429959 0.91 ADRB3 (0.41) ADRB2ADRB3ADRB1DRD2DRD1
SCHEMBL5432708 0.89 ADRB1 (0.40) ADRB2ADRB3ADRB1ALDH1A1LMNA
SCHEMBL5432704 0.89 ADRB1 (0.40) ADRB2ADRB3ADRB1ALDH1A1LMNA
SCHEMBL5393168 0.87 ADRB2 (0.47) ADRB2ADRB3ADRB1DRD2DRD1
SCHEMBL5434290 0.87 ADRB1 (0.41) ADRB2ADRB3ADRB1DRD2DRD1

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 1/4885ADRB3 3/4885ADRB1 2/4885

“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.