SCHEMBL694840

SCHEMBL694840

O=C=Nc1c(F)cccc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
RAB9A P51151 3/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 2/20 0.33
PKM P14618 2/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 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
Methane SCHEMBL27978530 0.82 CYP3A4 (0.46) GABRA1GABRB2ALDH1A1MAPK1CYP3A4
SCHEMBL9535737 0.82 MIF (0.41) GABRA1GABRB2RAB9ALMNAHTT
SCHEMBL162206 0.80 GABRA1 (0.50) GABRA1GABRB2ALDH1A1PKMMAPK1
SCHEMBL113386 0.80 CYP3A4 (0.47) GABRA1GABRB2ALDH1A1MAPK1CYP3A4
SCHEMBL12351495 0.79 RAB9A (0.41) RAB9ALMNAHTTL3MBTL1ALDH1A1
Biphenyl SCHEMBL2817445 0.77 CYP3A4 (0.44) GABRA1GABRB2ALDH1A1MAPK1CYP3A4
SCHEMBL28578200 0.75 ALDH1A1 (0.42) GABRA1GABRB2RAB9ALMNAHTT
Toluene SCHEMBL28897191 0.73 CYP3A4 (0.49) GABRA1GABRB2RAB9ALMNAL3MBTL1
SCHEMBL27545022 0.73 GABRA1 (0.46) GABRA1GABRB2RAB9ALMNAL3MBTL1
SCHEMBL30625397 0.73 CYP3A4 (0.52) GABRA1GABRB2ALDH1A1CYP3A4HPGD

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 47 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
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
WO-2010123766-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND β2 ADRENERGIC RECEPTOR AGONIST ACTIVITY THERAVANCE, INC. (US) 2010-10-28 WO disclosed
US-7569588-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2009-08-04 US disclosed
US-20090176767-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-07-09 US disclosed
US-20090048299-A1 or anticholinergic agents such as biphenyl-2-ylcarbamic acid 1-[2-({6-[(4-hydroxybenzylamino)methyl]pyridin-2-ylmethyl}carbamoyl)ethyl]piperidin-4-yl ester, used for the treatment of respiratory system disorders such as chronic obstructive pulmonary disease and asthma THERAVANCE BIOPHARMA R&D IP, LLC 2009-02-19 US disclosed
US-7456199-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2008-11-25 US disclosed
EP-1723111-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2006-11-22 EP disclosed
WO-2005087732-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-09-22 WO disclosed
US-20050203139-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 US disclosed
US-20050203083-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 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 (13 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 GABRA1 196/4885GABRB2 180/4885RAB9A 1615/4885
US-10138220-B1 Diamide compounds having muscarinic receptor antagonis and beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A GABRA1 184/4885GABRB2 198/4885RAB9A 1957/4885
US-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A GABRA1 191/4885GABRB2 183/4885RAB9A 1533/4885
US-20090048299-A1 or anticholinergic agents such as biphenyl-2-ylcarbamic acid 1-[2-({6-[(4-hydroxybenzylamino)methyl]pyridin-2-ylmethyl}carbamoyl)ethyl]piperidin-4-yl ester, used for the treatment of respiratory system disorders such as chronic obstructive pulmonary disease and asthma CHRM1, CHRM2, CHRM3 GABRA1 98/4885GABRB2 248/4885RAB9A 2243/4885
US-20050203083-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 GABRA1 164/4885GABRB2 237/4885RAB9A 2114/4885
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B GABRA1 237/4885GABRB2 272/4885RAB9A 1414/4885
US-10590107-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B GABRA1 196/4885GABRB2 180/4885RAB9A 1615/4885
US-20090176767-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 GABRA1 164/4885GABRB2 237/4885RAB9A 2114/4885
US-20050203139-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM1, CHRM2, CHRM3 GABRA1 169/4885GABRB2 386/4885RAB9A 2277/4885
US-20190047984-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B GABRA1 222/4885GABRB2 191/4885RAB9A 1255/4885
US-20200165223-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B GABRA1 196/4885GABRB2 180/4885RAB9A 1615/4885
US-10358433-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A GABRA1 219/4885GABRB2 208/4885RAB9A 1268/4885
US-20100273755-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2A GABRA1 256/4885GABRB2 225/4885RAB9A 1482/4885

“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.