SCHEMBL274007

SCHEMBL274007

CCc1cc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(C)cc1CNC[C@@H](O)c1ccc(O)c(NC=O)c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.68
CHRM3 P20309 20/20 0.68
CHRM2 P08172 1/20 0.55

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
SCHEMBL274006 1.00 ADRB2 (0.68) ADRB2CHRM3CHRM2
SCHEMBL272590 0.95 ADRB2 (0.69) ADRB2CHRM3CHRM2
SCHEMBL272592 0.95 ADRB2 (0.69) ADRB2CHRM3CHRM2
SCHEMBL273060 0.95 ADRB2 (0.69) ADRB2CHRM3CHRM2
SCHEMBL273061 0.95 ADRB2 (0.69) ADRB2CHRM3CHRM2
SCHEMBL272591 0.95 ADRB2 (0.69) ADRB2CHRM3CHRM2
SCHEMBL273062 0.95 ADRB2 (0.69) ADRB2CHRM3CHRM2
Fluoride SCHEMBL274218 0.94 ADRB2 (0.69) ADRB2CHRM3CHRM2
Fluoride SCHEMBL274219 0.94 ADRB2 (0.69) ADRB2CHRM3CHRM2
Cadaverine Tartrate SCHEMBL273233 0.93 ADRB2 (0.66) ADRB2CHRM3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010489-B1 DIALKYLPHENYL COMPOUNDS HAVING 2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE INC (US) 2012-08-22 EP disclosed
US-8134006-B2 Dialkylphenyl compounds having β2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE, INC. (US) 2012-03-13 US disclosed
US-20100137603-A1 DIALKYLPHENYL COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE, INC. (US) 2010-06-03 US disclosed
US-7687521-B2 Dialkylphenyl compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE, INC. (US) 2010-03-30 US disclosed
US-20090176833-A1 DIALKYLPHENYL COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE BIOPHARMA R&D IP, LLC 2009-07-09 US disclosed
US-7524965-B2 Dialkylphenyl compounds having β2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE, INC. (US) 2009-04-28 US disclosed
US-20070249675-A1 Dialkylphenyl compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE BIOPHARMA R&D IP, LLC 2007-10-25 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 (3 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-20100137603-A1 DIALKYLPHENYL COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY ADRB2, ADRB1, ADRA2C ADRB2 1/4885CHRM3 11/4885CHRM2 7/4885
US-20090176833-A1 DIALKYLPHENYL COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY ADRB2, ADRB1, ADRA2C ADRB2 1/4885CHRM3 11/4885CHRM2 7/4885
US-20070249675-A1 Dialkylphenyl compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity ADRB2, ADRB1, ADRA2C ADRB2 1/4885CHRM3 11/4885CHRM2 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.