SCHEMBL278959

SCHEMBL278959

CN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 1.00

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
SCHEMBL13590238 0.89 CHRM3 (0.87) CHRM3
SCHEMBL739634 0.87 CHRM3 (1.00) CHRM3
SCHEMBL13590364 0.86 CHRM3 (0.87) CHRM3
SCHEMBL13590543 0.86 CHRM3 (1.00) CHRM3
SCHEMBL13590162 0.86 CHRM3 (0.89) CHRM3
SCHEMBL13590412 0.85 CHRM3 (0.90) CHRM3
SCHEMBL13590261 0.85 CHRM3 (0.90) CHRM3
SCHEMBL13590462 0.85 CHRM3 (0.90) CHRM3
SCHEMBL13590105 0.85 CHRM3 (0.81) CHRM3
SCHEMBL13590397 0.85 CHRM3 (0.90) CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090306134-A1 Muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-12-10 US disclosed
US-20090306134-A1 Muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-12-10 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 (4 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 CHRM3 11/4885
US-20090176833-A1 DIALKYLPHENYL COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY ADRB2, ADRB1, ADRA2C CHRM3 11/4885
US-20070249675-A1 Dialkylphenyl compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity ADRB2, ADRB1, ADRA2C CHRM3 11/4885
US-20090306134-A1 Muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 CHRM3 1/4885

“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.