SCHEMBL693387

SCHEMBL693387

CC(C)(C)OC(=O)CNCCCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
ADRA1A P35348 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
S1PR2 O95136 1/20 0.35
LMNA P02545 2/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
EPHX2 P34913 1/20 0.34
NFKB1 P19838 1/20 0.33
PMP22 Q01453 1/20 0.33
AKR1B1 P15121 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLA2G4A P47712 1/20 0.33
PRMT1 Q99873 1/20 0.33

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
SCHEMBL3911950 0.95 MAOA (0.46) MAOAMAOBTSHRMEN1GAA
SCHEMBL22996130 0.93 MAOA (0.49) MAOAMAOBTSHRMEN1KMT2A
SCHEMBL2137955 0.89 MAOA (0.44) MAOAMAOBTSHRMEN1GAA
SCHEMBL756032 0.89 MAOA (0.39) MAOAMAOBTSHRMEN1GAA
SCHEMBL9891443 0.89 MAOA (0.46) MAOAMAOBTSHRMEN1GAA
SCHEMBL7432213 0.86 TSHR (0.48) MAOAMAOBTSHRTDP1LMNA
SCHEMBL10727964 0.83 MAOA (0.49) MAOAMAOBTSHRADRA1ATDP1
SCHEMBL2135566 0.83 MAOA (0.49) MAOAMAOBTSHRADRA1ATDP1
SCHEMBL397677 0.83 CA2 (0.37) MAOAMAOBTSHRMEN1GAA
SCHEMBL6535041 0.82 MAOA (0.44) MAOAMAOBMEN1GAAKMT2A

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 78 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
EP-3638678-A1 COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF AGENTS Modernatx, Inc. (US) 2020-04-22 EP 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
WO-2018232120-A1 COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF AGENTS MODERNATX, INC. (US) 2018-12-20 WO 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
EP-2119718-A1 MACROCYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2009-11-18 EP disclosed
US-20090264437-A1 4-Piperazinyl-Pyrimidine Compounds Suitable for Treating Disorders that Respond to Modulation of the Dopamine D3 Receptor ABBOTT GMBH & CO. KG (DE) 2009-10-22 US disclosed
WO-2008132679-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2008-11-06 WO disclosed
EP-1778684-A1 4-PIPERAZINYL-PYRIMIDINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D<sb>3</sb> RECEPTOR Abbott GmbH & Co. KG (DE) 2007-05-02 EP disclosed
US-20060115848-A1 Nucleic acid end-labeling reagents BLOKHIN ANDREI 2006-06-01 US disclosed
WO-2006023381-A1 PYRIMIDINONE COMPOUNDS TAIGEN BIOTECHNOLOGY (TW) 2006-03-02 WO disclosed
US-20060036093-A1 Pyrimidinone compounds TAIGEN BIOTECHNOLOGY 2006-02-16 US disclosed
WO-2006015842-A1 4-PIPERAZINYL-PYRIMIDINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-02-16 WO disclosed
WO-2006014588-A2 NUCLEIC ACID END-LABELING REAGENTS MIRUS BIO CORPORATION (US) 2006-02-09 WO disclosed
US-20060008830-A1 Nucleic acid end-labeling reagents SLATTUM PAUL M 2006-01-12 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 (12 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 MAOA 666/4885MAOB 523/4885TSHR 90/4885
US-10138220-B1 Diamide compounds having muscarinic receptor antagonis and beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A MAOA 842/4885MAOB 735/4885TSHR 105/4885
US-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A MAOA 717/4885MAOB 605/4885TSHR 77/4885
US-20090264437-A1 4-Piperazinyl-Pyrimidine Compounds Suitable for Treating Disorders that Respond to Modulation of the Dopamine D3 Receptor ADRA1D, ADRA1A, ADRA2A MAOA 147/4885MAOB 313/4885TSHR 102/4885
US-20060115848-A1 Nucleic acid end-labeling reagents POLM, POLN, POLRMT MAOA 2278/4885MAOB 1806/4885TSHR 2264/4885
US-20060008830-A1 Nucleic acid end-labeling reagents POLM, POLN, POLRMT MAOA 2278/4885MAOB 1806/4885TSHR 2264/4885
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B MAOA 579/4885MAOB 485/4885TSHR 193/4885
US-10590107-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B MAOA 666/4885MAOB 523/4885TSHR 90/4885
US-20060036093-A1 Pyrimidinone compounds CXCR3, CCR5, CXCR5 MAOA 4111/4885MAOB 3157/4885TSHR 1139/4885
US-20190047984-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B MAOA 656/4885MAOB 542/4885TSHR 115/4885
US-20200165223-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B MAOA 666/4885MAOB 523/4885TSHR 90/4885
US-10358433-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A MAOA 705/4885MAOB 635/4885TSHR 93/4885

“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.