SCHEMBL6259255

SCHEMBL6259255

COc1c(C(O)CNC(C)(C)Cc2ccccc2)ccc(O)c1O

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.55
ADRB1 P08588 8/20 0.55
CASR P41180 2/20 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
SCHEMBL6259212 0.85 ADRB2 (0.57) ADRB2ADRB1CASR
SCHEMBL11692760 0.84 ADRB2 (0.58) ADRB2ADRB1
SCHEMBL6399196 0.84 ADRB3 (0.45) ADRB2ADRB1
SCHEMBL6262196 0.81 ADRB2 (0.40) ADRB2ADRB1
SCHEMBL6258471 0.81 ADRB2 (0.40) ADRB2ADRB1
SCHEMBL28535211 0.75 ADRA2A (0.62) ADRB2ADRB1
SCHEMBL17670537 0.74 ADRB2 (0.58) ADRB2ADRB1
SCHEMBL11691981 0.74 ADRB2 (0.55) ADRB2ADRB1
SCHEMBL6264677 0.74 DPP4 (0.39) ADRB2ADRB1CASR
Hydrochloric Acid SCHEMBL6399582 0.73 ADRB2 (0.39) ADRB2ADRB1CASR

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-20050234134-A1 Betamimetics with a prolonged duration of activity, processes for preparing them, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-10-20 US disclosed
US-6951888-B2 Betamimetics with a prolonged duration of activity, processes for preparing them, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-10-04 US disclosed
EP-1551792-A1 NOVEL BETA MIMETICS WITH EXTENDED DURATION OF ACTION, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-07-13 EP disclosed
US-20040122108-A1 Betamimetics with a prolonged duration of activity, processes for preparing them, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-24 US disclosed
WO-2004033412-A1 NOVEL BETA MIMETICS WITH EXTENDED DURATION OF ACTION, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-22 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-20050234134-A1 Betamimetics with a prolonged duration of activity, processes for preparing them, and their use as pharmaceutical compositions CHRM1, CHRM2, ADRB1 ADRB2 5/4885ADRB1 3/4885CASR 888/4885
US-20040122108-A1 Betamimetics with a prolonged duration of activity, processes for preparing them, and their use as pharmaceutical compositions ADRA2C, ADRA1D, ADRB1 ADRB2 4/4885ADRB1 3/4885CASR 1653/4885

“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.