SCHEMBL826024

SCHEMBL826024

CCNC(=O)Cc1ccc(CC)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
AIMP2 Q13155 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
PLK1 P53350 1/20 0.47
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL24474317 0.86 HPGD (0.50) HPGDLMNAKMT2AMEN1ALDH1A1
SCHEMBL2451676 0.86 ESRRB (0.55) HPGDLMNANPC1RAB9AKDM4E
SCHEMBL31344791 0.86 HPGD (0.50) HPGDLMNAKMT2AMEN1ALDH1A1
SCHEMBL13255794 0.86 HPGD (0.69) HPGDLMNASMN1; SMN2MAPTKMT2A
SCHEMBL4764012 0.84 KMT2A (0.65) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL21185332 0.84 HPGD (0.49) HPGDLMNAKMT2AMEN1ALDH1A1
SCHEMBL780470 0.84 HPGD (0.49) HPGDLMNAKMT2AMEN1ALDH1A1
SCHEMBL4388479 0.84 ALDH1A1 (0.65) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL1095091 0.83 MEN1 (0.61) HPGDLMNAMAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL15995564 0.82 MEN1 (0.59) HPGDLMNAMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969571-B2 Biphenyl derivatives THERAVANCE RESPIRATORY COMPANY, LLC (US) 2015-03-03 US disclosed
US-20140235864-A1 BIPHENYL DERIVATIVES THERAVANCE, INC. (US) 2014-08-21 US disclosed
US-20130150404-A1 BIPHENYL DERIVATIVES THERAVANCE, INC. (US) 2013-06-13 US disclosed
US-8247564-B2 Compounds having BETA2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE, INC. (US) 2012-08-21 US disclosed
US-8242135-B2 Biphenyl derivatives THERAVANCE, INC. (US) 2012-08-14 US disclosed
US-8143277-B2 Method of using compounds having β2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE, INC. (US) 2012-03-27 US disclosed
US-20110312994-A1 BIPHENYL DERIVATIVES THERAVANCE, INC. (US) 2011-12-22 US disclosed
US-8008278-B2 Diarylmethyl and related compounds THERAVANCE, INC. (US) 2011-08-30 US disclosed
US-7893256-B2 Azabicycloalkane compounds THERAVANCE, INC. (US) 2011-02-22 US disclosed
US-20110034694-A1 COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE, INC. (US) 2011-02-10 US disclosed
US-7355046-B2 Chronic obstructive pulmonary dusease; asthma THERAVANCE, INC. (US) 2008-04-08 US disclosed
US-7345060-B2 Compounds having β2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE, INC. (US) 2008-03-18 US disclosed
US-7345175-B2 Biphenyl derivatives THERAVANCE, INC. (US) 2008-03-18 US disclosed
US-20080015220-A1 Biphenyl-2-ylcarbamic acid 1-{7-[(R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino]heptyl}piperidin-4-yl ester; beta 2 adrenergic receptor agonist and muscarinic receptor antagonist; bronchodilator agent; pulmonary disorders, chronic obstructive pulmonary disease and asthma THERAVANCE BIOPHARMA R&D IP, LLC 2008-01-17 US disclosed
US-7317102-B2 Diarylmethyl and related compounds THERAVANCE, INC. (US) 2008-01-08 US disclosed
EP-1406872-B1 DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK & CO INC (US) 2007-12-19 EP disclosed
US-20070276003-A1 Biphenyl-2-ylcarbamic acid 1-{7-[(R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino]heptyl}piperidin-4-yl ester; beta 2 adrenergic receptor agonist and muscarinic receptor antagonist; bronchodilator agent; pulmonary disorders, chronic obstructive pulmonary disease and asthma THERAVANCE BIOPHARMA R&D IP, LLC 2007-11-29 US disclosed
US-20070208176-A1 Biphenyl-2-ylcarbamic acid 1-{7-[(R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino]heptyl}piperidin-4-yl ester; beta 2 adrenergic receptor agonist and muscarinic receptor antagonist; bronchodilator agent; pulmonary disorders, chronic obstructive pulmonary disease and asthma THERAVANCE BIOPHARMA R&D IP, LLC 2007-09-06 US disclosed
US-20070088054-A1 e.g. 3-(4-{[6-({(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)-phenyl]ethyl}amino)-hexyl]oxy}butyl)benzenesulfonamide; beta 2 adrenergic receptor agonist and muscarinic receptor antagonist activity; bronchodilator agent; pulmonary disorders: chronic obstructive pulmonary disease; asthma THERAVANCE BIOPHARMA R&D IP, LLC 2007-04-19 US disclosed
US-20070037984-A1 Biphenyl-2-ylcarbamic acid 1-[2-(2-chloro-4-{[(R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino]methyl}-5-methoxyphenyl-carbamoyl)ethyl]piperidin-4-yl ester; beta 2 adrenergic receptor agonist and muscarinic receptor antagonist; bronchodilator agent; pulmonary disorders, asthma THERAVANCE BIOPHARMA R&D IP, LLC 2007-02-15 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 (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-20070037984-A1 Biphenyl-2-ylcarbamic acid 1-[2-(2-chloro-4-{[(R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino]methyl}-5-methoxyphenyl-carbamoyl)ethyl]piperidin-4-yl ester; beta 2 adrenergic receptor agonist and muscarinic receptor antagonist; bronchodilator agent; pulmonary disorders, asthma ADRB2, ADRA2B, ADRB1 HPGD 2875/4885LMNA 2750/4885SMN1; SMN2 3672/4885
US-20070088054-A1 e.g. 3-(4-{[6-({(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)-phenyl]ethyl}amino)-hexyl]oxy}butyl)benzenesulfonamide; beta 2 adrenergic receptor agonist and muscarinic receptor antagonist activity; bronchodilator agent; pulmonary disorders: chronic obstructive pulmonary disease; asthma ADRB2, ADRB3, ADRB1 HPGD 1069/4885LMNA 3405/4885SMN1; SMN2 3354/4885
US-20140235864-A1 BIPHENYL DERIVATIVES ADRB1, ADRB2, ADRB3 HPGD 3026/4885LMNA 3024/4885SMN1; SMN2 3873/4885
US-20070276003-A1 Biphenyl-2-ylcarbamic acid 1-{7-[(R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino]heptyl}piperidin-4-yl ester; beta 2 adrenergic receptor agonist and muscarinic receptor antagonist; bronchodilator agent; pulmonary disorders, chronic obstructive pulmonary disease and asthma ADRB2, ADRA2B, ADRB1 HPGD 1669/4885LMNA 2398/4885SMN1; SMN2 3760/4885
US-20080015220-A1 Biphenyl-2-ylcarbamic acid 1-{7-[(R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino]heptyl}piperidin-4-yl ester; beta 2 adrenergic receptor agonist and muscarinic receptor antagonist; bronchodilator agent; pulmonary disorders, chronic obstructive pulmonary disease and asthma ADRB2, ADRA2B, ADRB1 HPGD 1669/4885LMNA 2398/4885SMN1; SMN2 3760/4885
US-20070208176-A1 Biphenyl-2-ylcarbamic acid 1-{7-[(R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino]heptyl}piperidin-4-yl ester; beta 2 adrenergic receptor agonist and muscarinic receptor antagonist; bronchodilator agent; pulmonary disorders, chronic obstructive pulmonary disease and asthma ADRB2, ADRA2B, ADRB1 HPGD 1669/4885LMNA 2398/4885SMN1; SMN2 3760/4885
US-20130150404-A1 BIPHENYL DERIVATIVES ADRB1, ADRB2, ADRB3 HPGD 3049/4885LMNA 3053/4885SMN1; SMN2 3885/4885
US-20110034694-A1 COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY ADRA2B, ADRB2, ADRB1 HPGD 2849/4885LMNA 1707/4885SMN1; SMN2 2555/4885
US-20110312994-A1 BIPHENYL DERIVATIVES ADRB1, ADRB2, ADRB3 HPGD 3026/4885LMNA 3024/4885SMN1; SMN2 3873/4885

“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.