SCHEMBL693889

SCHEMBL693889

O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 3/20 0.46
FABP7 O15540 2/20 0.45
FABP5 Q01469 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.44
ALDH1A1 P00352 3/20 0.44
EPHX2 P34913 1/20 0.43
CYP2C19 P33261 1/20 0.43
BRD4 O60885 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
OPRD1 P41143 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL3785639 0.92 KMT2A (0.44) L3MBTL1NPC1RAB9AKMT2AFABP7
SCHEMBL3789075 0.92 KMT2A (0.44) L3MBTL1NPC1RAB9AKMT2AFABP7
SCHEMBL30564450 0.92 KMT2A (0.44) L3MBTL1NPC1RAB9AKMT2AFABP7
SCHEMBL30951907 0.92 KMT2A (0.44) L3MBTL1NPC1RAB9AKMT2AFABP7
SCHEMBL13327274 0.90 POLB (0.52) L3MBTL1KMT2AFABP7FABP5SMN1; SMN2
SCHEMBL22397770 0.90 POLB (0.52) L3MBTL1KMT2AFABP7FABP5SMN1; SMN2
SCHEMBL27841040 0.87 KMT2A (0.48) L3MBTL1NPC1RAB9AKMT2AFABP7
SCHEMBL6416916 0.87 KMT2A (0.48) L3MBTL1NPC1RAB9AKMT2AFABP7
SCHEMBL15353780 0.87 GAA (0.54) L3MBTL1NPC1RAB9AKMT2AFABP7
SCHEMBL8222797 0.87 TSHR (0.50) L3MBTL1NPC1RAB9AKMT2AFABP7

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 40 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-2421849-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Theravance, Inc. (US) 2012-02-29 EP disclosed
US-20110086836-A1 Substituted Phenylpiperidine Derivatives As Melanocortin-4 Receptor Modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2011-04-14 US disclosed
EP-2004604-B1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS CH (CH) 2010-12-01 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-2004604-A1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Santhera Pharmaceuticals (Schweiz) AG (CH) 2008-12-24 EP disclosed
WO-2007115798-A1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2007-10-18 WO disclosed
US-20050119489-A1 4-Sulfide/sulfoxide/sulfonyl-1h-pyrazolyl derivative compounds, for use in diseases associated with the 5-ht2c receptor BAYER HEALTHCARE AG (DE) 2005-06-02 US disclosed
EP-1465872-A1 4-SULFIDE/SULFOXIDE/SULFONYL-1H-PYRAZOLYL DERIVATIVE COMPOUNDS, FOR USE IN DISEASES ASSOCIATED WITH THE 5-HT2C RECEPTOR Bayer Pharmaceuticals Corporation (US) 2004-10-13 EP disclosed
WO-2003057674-A1 4-SULFIDE / SULFOXIDE / SULFONYL-1H-PYRAZOLYL DERIVATIVE COMPOUNDS, FOR USE IN DISEASES ASSOCIATED WITH THE 5-HT2C RECEPTOR BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-17 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 (11 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 4774/4885NPC1 3934/4885RAB9A 1615/4885
US-10138220-B1 Diamide compounds having muscarinic receptor antagonis and beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A L3MBTL1 4783/4885NPC1 3887/4885RAB9A 1957/4885
US-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A L3MBTL1 4769/4885NPC1 3707/4885RAB9A 1533/4885
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B L3MBTL1 4488/4885NPC1 2848/4885RAB9A 1414/4885
US-10590107-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B L3MBTL1 4774/4885NPC1 3934/4885RAB9A 1615/4885
US-20190047984-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B L3MBTL1 4833/4885NPC1 3729/4885RAB9A 1255/4885
US-20050119489-A1 4-Sulfide/sulfoxide/sulfonyl-1h-pyrazolyl derivative compounds, for use in diseases associated with the 5-ht2c receptor HTR2C, HTR2A, HTR2B L3MBTL1 3309/4885NPC1 3266/4885RAB9A 2660/4885
US-20200165223-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B L3MBTL1 4774/4885NPC1 3934/4885RAB9A 1615/4885
US-10358433-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A L3MBTL1 4842/4885NPC1 3563/4885RAB9A 1268/4885
US-20100273755-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2A L3MBTL1 4612/4885NPC1 3584/4885RAB9A 1482/4885
US-20110086836-A1 Substituted Phenylpiperidine Derivatives As Melanocortin-4 Receptor Modulators MC4R, MC5R, MC3R L3MBTL1 1373/4885NPC1 4702/4885RAB9A 3897/4885

“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.