SCHEMBL5434290

SCHEMBL5434290

CC1(C)OCc2cc([C@@H](O)CNCCc3cccc(COCCCc4c(Cl)cccc4Cl)c3)ccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 18/20 0.41
ADRB2 P07550 16/20 0.41
ADRB3 P13945 15/20 0.41
DRD1 P21728 3/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
MLNR O43193 1/20 0.40
NR1I2 O75469 1/20 0.40
ABCB11 O95342 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
ADRA1A P35348 1/20 0.40
PTGS2 P35354 1/20 0.40
MC3R P41968 1/20 0.40
PDE4D Q08499 1/20 0.40
SCN5A Q14524 1/20 0.40
GHSR Q92847 1/20 0.40
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38

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
SCHEMBL5429959 0.93 ADRB3 (0.41) ADRB1ADRB2ADRB3DRD1SLC6A4
SCHEMBL5432002 0.90 ADRB2 (0.47) ADRB1ADRB2ADRB3DRD1SLC6A4
SCHEMBL5433683 0.88 ADRB2 (0.45) ADRB1ADRB2ADRB3DRD1SLC6A4
SCHEMBL5423178 0.88 ADRB2 (0.43) ADRB1ADRB2ADRB3DRD1SLC6A4
SCHEMBL5434320 0.87 ADRB2 (0.43) ADRB1ADRB2ADRB3DRD1SLC6A4
SCHEMBL5436285 0.87 ADRB2 (0.42) ADRB1ADRB2ADRB3DRD1SLC6A4
SCHEMBL5943632 0.85 ADRB1 (0.35) ADRB1ADRB2ADRB3DRD1SLC6A4
SCHEMBL23014462 0.84 ADRB2 (0.59) ADRB1ADRB2ADRB3DRD1SLC6A4
SCHEMBL6428760 0.84 ADRB2 (0.59) ADRB1ADRB2ADRB3DRD1SLC6A4
SCHEMBL928498 0.84 ADRB2 (0.59) ADRB1ADRB2ADRB3DRD1SLC6A4

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 ADRB1 2/4885ADRB2 1/4885ADRB3 3/4885

“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.