SCHEMBL5353360

SCHEMBL5353360

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.39
ALOX5AP P20292 1/20 0.35
LMNA P02545 1/20 0.34
PRNP P04156 1/20 0.34
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CCR5 P51681 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
ADRB3 P13945 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33

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 1.00 ADRB2 (0.39) ADRB2ALOX5APLMNAPRNPMAPT
SCHEMBL5353356 0.89 ADRB2 (0.41) ADRB2LMNAADRB3
SCHEMBL6705286 0.87 ADRB2 (0.43) ADRB2TDP1ADRB3
SCHEMBL5349538 0.86 ABCB1 (0.39) ADRB2
SCHEMBL5353704 0.86 ADRB2 (0.51) ADRB2ADRB3
SCHEMBL10753050 0.85 HMOX1 (0.40) ADRB2
SCHEMBL5354273 0.84 ADRB2 (0.44) ADRB2ADRB3
SCHEMBL5347604 0.84 ADRB2 (0.44) ADRB2ADRB3
SCHEMBL6705283 0.78 ADRB2 (0.50) ADRB2LMNAADRB3
SCHEMBL4014708 0.77 ADRB2 (0.50) ADRB2LMNATDP1CCR5ADRB3

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 2/4885ALOX5AP 1388/4885LMNA 858/4885
US-20040127733-A1 New beta-agonists, processes for preparing them and their use as pharmaceutical compositions ADRB1, ADRA1A, ADRA1D ADRB2 5/4885ALOX5AP 1428/4885LMNA 948/4885

“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.