SCHEMBL273341

SCHEMBL273341

COC(=O)c1cc(C)c(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1C

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.62

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
SCHEMBL274003 0.93 CHRM3 (0.65) CHRM3
SCHEMBL272766 0.88 CHRM3 (0.65) CHRM3
SCHEMBL273385 0.88 CHRM3 (0.65) CHRM3
SCHEMBL272710 0.87 CHRM3 (0.62) CHRM3
Hydrochloric Acid SCHEMBL272709 0.86 CHRM3 (0.61) CHRM3
SCHEMBL272784 0.85 CHRM3 (0.60) CHRM3
SCHEMBL385069 0.84 CHRM3 (0.59) CHRM3
SCHEMBL18239912 0.84 CHRM3 (0.59) CHRM3
SCHEMBL730320 0.82 CHRM3 (0.57) CHRM3
SCHEMBL278884 0.82 CHRM3 (0.77) 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 19 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-8134006-B2 Dialkylphenyl compounds having β2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE, INC. (US) 2012-03-13 US disclosed
US-8134006-B2 Dialkylphenyl compounds having β2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE, INC. (US) 2012-03-13 US disclosed
EP-2010490-B1 CRYSTALLINE FORMS OF A DIMETHYLPHENYL COMPOUND THERAVANCE INC (US) 2011-08-17 EP disclosed
US-20110086881-A1 CRYSTALLINE FORMS OF A DIMETHYLPHENYL COMPOUND THERAVANCE, INC. (US) 2011-04-14 US disclosed
US-7880010-B2 form 1 of crystalline free base of biphenyl-2-ylcarbamic acid 1-[2-(4-{[(R)-2-(3-formylamino-4-hydroxyphenyl)-2-hydroxyethylamino]methyl}-2,5-dimethylphenylcarbamoyl)ethyl]piperidin-4-yl ester; useful for treating pulmonary disorders, such as asthma and chronic obstructive pulmonary disease THERAVANCE, INC. (US) 2011-02-01 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-20100137603-A1 DIALKYLPHENYL COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE, INC. (US) 2010-06-03 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
EP-2010490-A2 CRYSTALLINE FORMS OF A DIMETHYLPHENYL COMPOUND Theravance, Inc. (US) 2009-01-07 EP disclosed
EP-2010489-A2 DIALKYLPHENYL COMPOUNDS HAVING 2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY Theravance, Inc. (US) 2009-01-07 EP disclosed
WO-2007127297-A2 CRYSTALLINE FORMS OF A DIMETHYLPHENYL COMPOUND THERAVANCE, INC. (US) 2007-11-08 WO disclosed
WO-2007127196-A2 DIALKYLPHENYL COMPOUNDS HAVING β2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE, INC. (US) 2007-11-08 WO disclosed
US-20070249674-A1 Crystalline forms of a dimethylphenyl compound THERAVANCE BIOPHARMA R&D IP, LLC 2007-10-25 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 (5 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-20070249674-A1 Crystalline forms of a dimethylphenyl compound H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PKD2, PKD1 CHRM3 599/4885
US-20110086881-A1 CRYSTALLINE FORMS OF A DIMETHYLPHENYL COMPOUND H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PKD2, PKD1 CHRM3 599/4885
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

“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.