SCHEMBL384467

SCHEMBL384467

COc1cc(N(Cl)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1CNCC(O)c1ccc(O)c2[nH]c(=O)ccc12

nearest known ligand 0.89

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.89
CHRM3 P20309 20/20 0.89
CHRM2 P08172 1/20 0.77

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
SCHEMBL380876 0.96 ADRB2 (0.83) ADRB2CHRM3CHRM2
SCHEMBL827899 0.94 ADRB2 (0.78) ADRB2CHRM3CHRM2
SCHEMBL14988842 0.92 ADRB2 (0.78) ADRB2CHRM3CHRM2
Trifluoroacetic Acid SCHEMBL694469 0.91 ADRB2 (0.94) ADRB2CHRM3CHRM2
SCHEMBL384383 0.91 ADRB2 (0.74) ADRB2CHRM3CHRM2
Biphenyl SCHEMBL14239363 0.90 ADRB2 (0.72) ADRB2CHRM3CHRM2
SCHEMBL5651687 0.90 ADRB2 (0.80) ADRB2CHRM3
SCHEMBL2847504 0.90 ADRB2 (0.72) ADRB2CHRM3CHRM2
SCHEMBL2845385 0.89 CHRM3 (0.77) ADRB2CHRM3
SCHEMBL10186244 0.87 CHRM3 (1.00) ADRB2CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180256561-A1 Pharmaceutical Combination GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-09-13 US claimed
EP-1981872-B1 SUCCINIC ACID SALT OF BIPHENYL-2-YLCARBAMIC ACID 1-[2-(2-CHLORO-4-{[ (R)-2-HYDROXY-2- (8-HYDROXY-2-OXO-1, 2-DIHYDROQUINOLIN-5-YL) ETH YLAMINOIMETHYL]} -5-METHOXYPHENYLCARBAMOYL) ETHYL]PIPERIDIN-4-YL ESTER AND ITS USE FOR THE TREATMENT OF PULMONARY DISORDERS GLAXO GROUP LTD (GB) 2017-06-21 EP claimed
US-8754223-B2 Crystalline form of a biphenyl compound THERAVANCE, INC. (US) 2014-06-17 US claimed
US-20130289281-A1 CRYSTALLINE FORM OF A BIPHENYL COMPOUND THERAVANCE, INC. (US) 2013-10-31 US claimed
US-8476299-B2 Crystalline form of a biphenyl compound THERAVANCE, INC. (US) 2013-07-02 US claimed
EP-1778672-B1 Crystalline form of a biphenyl compound THERAVANCE INC (US) 2012-12-19 EP claimed
US-20120283289-A1 CRYSTALLINE FORM OF A BIPHENYL COMPOUND THERAVANCE, INC. (US) 2012-11-08 US claimed
US-8101766-B2 Crystalline form of a biphenyl compound THERAVANCE, INC. (US) 2012-01-24 US claimed
US-7960551-B2 Compound GLAXO GROUP LIMITED (GB) 2011-06-14 US claimed
EP-1615889-B1 BIPHENYL DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE INC (US) 2010-09-29 EP claimed
US-20090221638-A1 CRYSTALLINE FORM OF A BIPHENYL COMPOUND THERAVANCE BIOPHARMA R&D IP, LLC 2009-09-03 US claimed
US-7521561-B2 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, INC. (US) 2009-04-21 US claimed
US-7521558-B2 Crystalline form of a biphenyl compound THERAVANCE, INC. (US) 2009-04-21 US claimed
US-20070281971-A1 Novel Compound GLAXO GROUP LIMITED (GB) 2007-12-06 US claimed
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 claimed
US-20060229334-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 2006-10-12 US claimed
US-20060035931-A1 Crystalline form of a biphenyl compound THERAVANCE, INC. 2006-02-16 US claimed
US-20040167167-A1 Chronic obstructive pulmonary dusease; asthma THERAVANCE BIOPHARMA R&D IP, LLC 2004-08-26 US claimed
US-20180256561-A1 Pharmaceutical Combination GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-09-13 US disclosed
US-20060035931-A1 Crystalline form of a biphenyl compound THERAVANCE, INC. 2006-02-16 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-20060035931-A1 Crystalline form of a biphenyl compound H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ALK, PKD2 ADRB2 1162/4885CHRM3 1116/4885CHRM2 1039/4885
US-20130289281-A1 CRYSTALLINE FORM OF A BIPHENYL COMPOUND H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ALK, PKD2 ADRB2 1162/4885CHRM3 1116/4885CHRM2 1039/4885
US-20090221638-A1 CRYSTALLINE FORM OF A BIPHENYL COMPOUND H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ALK, PKD2 ADRB2 1162/4885CHRM3 1116/4885CHRM2 1039/4885
US-20120283289-A1 CRYSTALLINE FORM OF A BIPHENYL COMPOUND H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ALK, PKD2 ADRB2 1162/4885CHRM3 1116/4885CHRM2 1039/4885
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 ADRB2 1/4885CHRM3 24/4885CHRM2 12/4885
US-20040167167-A1 Chronic obstructive pulmonary dusease; asthma ADRB1, ADRB2, ADRA2B ADRB2 2/4885CHRM3 17/4885CHRM2 16/4885
US-20060229334-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 ADRB2 1/4885CHRM3 22/4885CHRM2 9/4885
US-20180256561-A1 Pharmaceutical Combination IL5, CYP11B2, HSD11B2 ADRB2 34/4885CHRM3 134/4885CHRM2 168/4885
US-20070281971-A1 Novel Compound SUCNR1, SLC16A7, SLC16A1 ADRB2 1963/4885CHRM3 3178/4885CHRM2 2447/4885

“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.