SCHEMBL730480

SCHEMBL730480

CNc1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.57
PSMB8 P28062 1/20 0.51
NAMPT P43490 1/20 0.51
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
MAPK14 Q16539 1/20 0.47
MAP4K4 O95819 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
PTPN11 Q06124 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPKAPK2 P49137 3/20 0.44
DRD2 P14416 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
LIPE Q05469 1/20 0.44

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
SCHEMBL13055402 0.92 CYP17A1 (0.59) CYP17A1PSMB8NAMPTCA12CA1
SCHEMBL23619661 0.86 SMN1; SMN2 (0.62) CYP17A1PSMB8NAMPTCA12CA1
SCHEMBL20865536 0.86 CYP17A1 (0.68) CYP17A1PSMB8NAMPTCA12CA1
SCHEMBL132701 0.85 CYP17A1 (0.76) CYP17A1PSMB8NAMPTCA12CA1
SCHEMBL20057524 0.85 CYP17A1 (0.55) CYP17A1PSMB8NAMPTCA12CA1
SCHEMBL437131 0.85 CYP17A1 (0.54) CYP17A1PSMB8NAMPTCA12CA1
SCHEMBL1455948 0.85 CYP17A1 (0.54) CYP17A1PSMB8NAMPTCA12CA1
SCHEMBL11925396 0.85 SMN1; SMN2 (0.66) CYP17A1PSMB8NAMPTCA12CA1
SCHEMBL977487 0.85 CYP17A1 (0.54) CYP17A1PSMB8NAMPTCA12CA1
SCHEMBL178373 0.85 CYP17A1 (0.54) CYP17A1PSMB8NAMPTCA12CA1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2020-11-17 US disclosed
US-20200165223-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2020-05-28 US disclosed
US-10590107-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2020-03-17 US disclosed
US-20190300504-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2019-10-03 US disclosed
US-10358433-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2019-07-23 US disclosed
CN-105873577-B Cycloalkenylamides as bromodomain inhibitors 西奈山伊坎医学院 2019-06-18 CN disclosed
US-20190047984-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2019-02-14 US disclosed
EP-3210981-B1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA 2 ADRENERGIC RECEPTOR AGONIST ACTIVITY THERAVANCE RESPIRATORY CO LLC (US) 2019-01-02 EP disclosed
US-10138220-B1 Diamide compounds having muscarinic receptor antagonis and beta2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2018-11-27 US disclosed
US-9975875-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2018-05-22 US disclosed
US-8551978-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE, INC. (US) 2013-10-08 US disclosed
EP-2599778-A1 Diamide Compounds having Muscarinic Receptor Antagonist and Beta 2 Adrenergic Receptor Agonist Activity Theravance Inc (US) 2013-06-05 EP disclosed
US-20130137665-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY THERAVANCE, INC. (US) 2013-05-30 US disclosed
EP-2421849-B1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY THERAVANCE INC (US) 2013-04-03 EP disclosed
CN-102405218-A Muscarinic receptor antagonists and beta2Diamide compounds having adrenergic receptor agonist activity THERAVANCE INC 2012-04-04 CN disclosed
US-8138345-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE, INC. (US) 2012-03-20 US disclosed
US-20100273755-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY THERAVANCE BIOPHARMA R&D IP, LLC 2010-10-28 US disclosed
CN-1319090-A Novel substuted indolimones, their preparation process and use as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2001-10-24 CN disclosed
CN-1041932-C Tricyclic quinoxalinedione derivatives SUMITOMO PHARMA (JP) 1999-02-03 CN disclosed
CN-1098722-A Tricyclic quinoxalinedione derivatives SUMITOMO PHARMA (JP) 1995-02-15 CN 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 (9 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-20190300504-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B CYP17A1 1452/4885PSMB8 2260/4885NAMPT 2370/4885
US-10138220-B1 Diamide compounds having muscarinic receptor antagonis and beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A CYP17A1 1735/4885PSMB8 2161/4885NAMPT 2582/4885
US-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A CYP17A1 1785/4885PSMB8 1971/4885NAMPT 2508/4885
US-10590107-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B CYP17A1 1452/4885PSMB8 2260/4885NAMPT 2370/4885
US-20190047984-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B CYP17A1 1332/4885PSMB8 2308/4885NAMPT 2356/4885
US-20200165223-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B CYP17A1 1452/4885PSMB8 2260/4885NAMPT 2370/4885
US-10358433-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A CYP17A1 1459/4885PSMB8 2060/4885NAMPT 2857/4885
US-20100273755-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2A CYP17A1 1410/4885PSMB8 2603/4885NAMPT 3227/4885
US-20130137665-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2A CYP17A1 1410/4885PSMB8 2603/4885NAMPT 3227/4885

“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.