SCHEMBL4993324

SCHEMBL4993324

Cc1cc(C(O)CNC(C)(C)Cc2cccc(CC(=O)NCc3cccc(-c4ccc(O)cc4)c3)c2)ccc1O

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.79
CHRM3 P20309 1/20 0.46
ADRB1 P08588 1/20 0.46

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
SCHEMBL13840738 0.89 ADRB2 (0.74) ADRB2CHRM3ADRB1
SCHEMBL3915477 0.89 ADRB2 (0.74) ADRB2CHRM3ADRB1
SCHEMBL3625837 0.88 ADRB2 (0.81) ADRB2CHRM3
Pf-00610355 SCHEMBL29369227 0.88 ADRB2 (1.00) ADRB2CHRM3
Pf-00610355 SCHEMBL2452494 0.88 ADRB2 (1.00) ADRB2CHRM3
SCHEMBL3625842 0.88 ADRB2 (0.81) ADRB2CHRM3
Pf-00610355 SCHEMBL2452493 0.88 ADRB2 (1.00) ADRB2CHRM3
Methane SCHEMBL15936063 0.87 ADRB2 (0.72) ADRB2CHRM3ADRB1
SCHEMBL4856625 0.85 ADRB2 (0.68) ADRB2CHRM3ADRB1
SCHEMBL4856636 0.85 ADRB2 (0.68) ADRB2CHRM3ADRB1

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-20080193988-A1 Such as 2-(3-{2-[((2R)-2-{4-Benzyloxy-3-[(dimethylsulfonyl)amino]phenyl}-2-{[tert-butyl(dimethyl)silyl]oxy}ethyl)amino]-2-methylpropyl}phenyl)-N-[(4'-hydroxybiphenyl-3-yl)methyl]-acetamide GLADWELL IAIN ROBERT 2008-08-14 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-20080193988-A1 Such as 2-(3-{2-[((2R)-2-{4-Benzyloxy-3-[(dimethylsulfonyl)amino]phenyl}-2-{[tert-butyl(dimethyl)silyl]oxy}ethyl)amino]-2-methylpropyl}phenyl)-N-[(4'-hydroxybiphenyl-3-yl)methyl]-acetamide NR4A1, CYP2A6, GPR6 ADRB2 118/4885CHRM3 257/4885ADRB1 266/4885

“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.