SCHEMBL694492

SCHEMBL694492

CC(C)(C)OC(=O)NCc1ccc(CC=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 1/20 0.51
NAMPT P43490 2/20 0.51
CA1 P00915 2/20 0.48
CA2 P00918 1/20 0.48
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
RECQL P46063 1/20 0.47
HDAC1 Q13547 2/20 0.46
KDM4A O75164 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
XBP1 P17861 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
SDCBP O00560 1/20 0.44
SDC2 P34741 1/20 0.44
ATM Q13315 1/20 0.44
FPR3 P25089 1/20 0.43

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
SCHEMBL3180689 0.90 L3MBTL1 (0.61) L3MBTL1GAANAMPTCA1CA2
SCHEMBL6370655 0.86 L3MBTL1 (0.50) L3MBTL1GAANAMPTCA1CA2
SCHEMBL208544 0.86 EPHX2 (0.57) L3MBTL1GAANAMPTCA1CA2
SCHEMBL3307112 0.86 L3MBTL1 (0.52) L3MBTL1GAANAMPTCA1CA2
SCHEMBL694491 0.85 GLS (0.56) L3MBTL1NAMPTCA1HDAC1KDM4A
SCHEMBL694269 0.84 CA2 (0.54) NAMPTCA1CA2MAPTNPSR1
SCHEMBL1164796 0.83 L3MBTL1 (0.56) L3MBTL1GAANAMPTCA1CA2
SCHEMBL5796279 0.83 L3MBTL1 (0.56) L3MBTL1GAANAMPTCA1CA2
SCHEMBL15259134 0.83 L3MBTL1 (0.56) L3MBTL1GAANAMPTCA1CA2
SCHEMBL12685839 0.83 L3MBTL1 (0.56) L3MBTL1GAANAMPTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2021-01-28 US disclosed
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
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
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
EP-2421849-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Theravance, Inc. (US) 2012-02-29 EP disclosed
WO-2010123766-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND β2 ADRENERGIC RECEPTOR AGONIST ACTIVITY THERAVANCE, INC. (US) 2010-10-28 WO 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
EP-0989986-A1 5,7-DISUBSTITUTED 4-AMINOPYRIDO 2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS Abbott Laboratories (US) 2000-04-05 EP disclosed
WO-1998046605-A1 5,7-DISUBSTITUTED 4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 1998-10-22 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 (10 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 L3MBTL1 4774/4885GAA 3199/4885NAMPT 2370/4885
US-10138220-B1 Diamide compounds having muscarinic receptor antagonis and beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A L3MBTL1 4783/4885GAA 3557/4885NAMPT 2582/4885
US-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A L3MBTL1 4769/4885GAA 3449/4885NAMPT 2508/4885
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B L3MBTL1 4488/4885GAA 2954/4885NAMPT 3336/4885
US-10590107-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B L3MBTL1 4774/4885GAA 3199/4885NAMPT 2370/4885
US-20190047984-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B L3MBTL1 4833/4885GAA 2982/4885NAMPT 2356/4885
US-20200165223-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B L3MBTL1 4774/4885GAA 3199/4885NAMPT 2370/4885
US-10358433-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A L3MBTL1 4842/4885GAA 3398/4885NAMPT 2857/4885
US-20100273755-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2A L3MBTL1 4612/4885GAA 3208/4885NAMPT 3227/4885
US-20130137665-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2A L3MBTL1 4612/4885GAA 3208/4885NAMPT 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.