SCHEMBL5353704

SCHEMBL5353704

CC(C)(CCn1cnc(-c2ccccc2)c1)NCC(O)c1ccc(OCc2ccccc2)c(NS(C)(=O)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.51
ADRB3 P13945 15/20 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
SCHEMBL5354273 0.93 ADRB2 (0.44) ADRB2ADRB3
SCHEMBL5347604 0.93 ADRB2 (0.44) ADRB2ADRB3
SCHEMBL5356669 0.88 ADRB2 (0.62) ADRB2ADRB3
SCHEMBL5353906 0.86 ADRB2 (0.39) ADRB2ADRB3
SCHEMBL5353360 0.86 ADRB2 (0.39) ADRB2ADRB3
SCHEMBL5347742 0.85 ADRB2 (0.45) ADRB2ADRB3
SCHEMBL5353356 0.85 ADRB2 (0.41) ADRB2ADRB3
SCHEMBL5349538 0.84 ABCB1 (0.39) ADRB2
SCHEMBL10762180 0.83 ADRB2 (0.49) ADRB2ADRB3
Oxalic Acid SCHEMBL10638139 0.81 ADRB2 (0.47) ADRB2ADRB3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214698-B2 Beta-agonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-05-08 US disclosed
US-20060173061-A1 New beta-agonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-03 US disclosed
EP-1558583-A1 NOVEL PHENYLETHANOLAMINE DERIVATIVES AND THE USE OF THE SAME AS BETA-3-AGONISTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-08-03 EP disclosed
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
WO-2004039784-A1 NOVEL PHENYLETHANOLAMINE DERIVATIVES AND THE USE OF THE SAME AS BETA-3-AGONISTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 WO 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 (2 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-20060173061-A1 New beta-agonists, processes for preparing them and their use as pharmaceutical compositions ADRB1, ADRB2, ADRA1A ADRB2 2/4885ADRB3 9/4885
US-20040127733-A1 New beta-agonists, processes for preparing them and their use as pharmaceutical compositions ADRB1, ADRA1A, ADRA1D ADRB2 5/4885ADRB3 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.