SCHEMBL6705286

SCHEMBL6705286

CC(C)(CCn1cnc(-c2ccccc2)c1)NCC(O)c1ccc(O)c(N)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 10/20 0.43
ADRB1 P08588 3/20 0.40
ADRB3 P13945 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

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
SCHEMBL6705283 0.87 ADRB2 (0.50) ADRB2ADRB1ADRB3CYP1A2CYP2D6
SCHEMBL5353906 0.87 ADRB2 (0.39) ADRB2ADRB3TDP1
SCHEMBL5353360 0.87 ADRB2 (0.39) ADRB2ADRB3TDP1
SCHEMBL5356669 0.84 ADRB2 (0.62) ADRB2ADRB3
SCHEMBL5354167 0.82 ADRB2 (0.52) ADRB2ADRB3
SCHEMBL5354160 0.82 ADRB2 (0.52) ADRB2ADRB3
SCHEMBL5353356 0.79 ADRB2 (0.41) ADRB2ADRB1ADRB3CYP1A2CYP2D6
SCHEMBL2201260 0.78 ADRB3 (0.44) ADRB2ADRB1ADRB3
SCHEMBL13900642 0.77 ADRB2 (0.50) ADRB2ADRB1ADRB3CYP1A2CYP2D6
SCHEMBL1380662 0.76 ADRB3 (0.43) ADRB2ADRB1ADRB3

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-20040127733-A1 New beta-agonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-01 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-20040127733-A1 New beta-agonists, processes for preparing them and their use as pharmaceutical compositions ADRB1, ADRA1A, ADRA1D ADRB2 5/4885ADRB1 1/4885ADRB3 7/4885

“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.