SCHEMBL5349538

SCHEMBL5349538

CC(C)(CCn1cnc(-c2ccccc2)c1)NC[C@H](O)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.39
CTSV O60911 4/20 0.39
CTSL P07711 4/20 0.39
PDCD1 Q15116 7/20 0.38
CD274 Q9NZQ7 7/20 0.38
POLB P06746 1/20 0.37
ADRB2 P07550 3/20 0.36

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
SCHEMBL5353906 0.86 ADRB2 (0.39) ADRB2
SCHEMBL5353360 0.86 ADRB2 (0.39) ADRB2
SCHEMBL5353356 0.85 ADRB2 (0.41) ADRB2
SCHEMBL5353704 0.84 ADRB2 (0.51) ADRB2
SCHEMBL5347604 0.82 ADRB2 (0.44) ADRB2
SCHEMBL5354273 0.82 ADRB2 (0.44) ADRB2
SCHEMBL6705286 0.76 ADRB2 (0.43) ADRB2
SCHEMBL6705283 0.75 ADRB2 (0.50) ADRB2
SCHEMBL5356669 0.74 ADRB2 (0.62) ADRB2
SCHEMBL5347742 0.74 ADRB2 (0.45) ADRB2

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 ABCB1 549/4885CTSV 3296/4885CTSL 2252/4885
US-20040127733-A1 New beta-agonists, processes for preparing them and their use as pharmaceutical compositions ADRB1, ADRA1A, ADRA1D ABCB1 617/4885CTSV 3747/4885CTSL 2242/4885

“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.