SCHEMBL71757

SCHEMBL71757

O=C(O[C@H]1CN2CCC1CC2)C(=O)c1ccco1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 10/20 0.51
CHRM1 P11229 8/20 0.51
CHRM3 P20309 7/20 0.51
CHRNA7 P36544 2/20 0.50
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CYP2D6 P10635 2/20 0.47
GLA P06280 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL1234796 1.00 CHRM2 (0.51) CHRM2CHRM1CHRM3CHRNA7BCHE
SCHEMBL1234896 0.78 CYP2D6 (0.65) CHRM2CHRM1CHRM3CHRNA7BCHE
SCHEMBL1234895 0.78 CYP2D6 (0.65) CHRM2CHRM1CHRM3CHRNA7BCHE
SCHEMBL72692 0.74 CHRM2 (0.65) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL1233315 0.74 CHRM3 (0.59) CHRM2CHRM1CHRM3CHRNA7BCHE
SCHEMBL2824521 0.74 CHRM2 (0.53) CHRM2CHRM1CHRM3CHRNA7ALDH1A1
SCHEMBL71851 0.74 CHRM3 (0.59) CHRM2CHRM1CHRM3CHRNA7BCHE
SCHEMBL2831958 0.73 CHRM3 (0.68) CHRM2CHRM1CHRM3CHRNA7BCHE
SCHEMBL2831960 0.73 CHRM2 (0.65) CHRM2CHRM1CHRM3CHRNA7BCHE
SCHEMBL7824082 0.71 CYP2D6 (0.67) CHRM2CHRM1CHRM3CHRNA7BCHE

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
EP-1200431-B3 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTORS LIGANDS ALMIRALL SA (ES) 2015-06-24 EP claimed
US-20040132768-A1 substituted with (hetero)aryl carbonyloxy group and quaternized, e.g., 3(R)-Diphenylacetoxy-1-(3-phenoxy-propyl)-1-azoniabicyclo[2.2.2]octane; bromide; antimuscarinic agents for treating COPD, chronic bronchitis, asthma and rhinitis. ALMIRALL PRODESFARMA, S.A. (ES) 2004-07-08 US claimed
EP-1200431-B1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTORS LIGANDS ALMIRALL PRODESFARMA AG (CH) 2003-03-26 EP claimed
US-20030055080-A1 For manufacture of medicament for use in therapy of respiratory, urinary or gastrointestinal disease ALMIRALL, S.A. (ES) 2003-03-20 US claimed
US-10588895-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2020-03-17 US disclosed
US-20190183867-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL SA (ES) 2019-06-20 US disclosed
US-10034867-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2018-07-31 US disclosed
US-20170319557-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA, S.A. (ES) 2017-11-09 US disclosed
US-9687478-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2017-06-27 US disclosed
US-RE46417-E1 Quinuclidine derivatives and their use as muscarinic M3 receptor ligands ALMIRALL, S.A. (ES) 2017-05-30 US disclosed
US-20160296503-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA, S.A. (ES) 2016-10-13 US disclosed
US-9333195-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2016-05-10 US disclosed
US-7078412-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL PRODESFARMA AG (CH) 2006-07-18 US disclosed
US-20060106055-A1 3(R)-(2-hydroxy-2,2-dithien-2-ylacetoxy)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2] octane in salt form, particularly bromide or trifluoroacetate, for treatment of respiratory disorders, alone or in combination with other bronchodilatory compounds ALMIRALL PRODESFARMA, S.A. (ES) 2006-05-18 US disclosed
US-20060106056-A1 3(R)-1-Phenethyl-(9[H]-xanthene-9-carbonyloxy)-1-azoniabicyclo[2.2.2] octane quaternary salt with a mono- or polyvalent anion; antimuscarinic agents used to treat chronic obstructive pulmonary disease, chronic bronchitis, bronchial hyperreactivity, asthma, or rhinitis ALMIRALL PRODESFARMA, S.A. (ES) 2006-05-18 US disclosed
US-20050209272-A1 3(R)-(2-hydroxy-2,2-dithien-2-ylacetoxy)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2] octane in salt form, particularly bromide or trifluoroacetate, for treatment of respiratory disorders, alone or in combination with other bronchodilatory compounds ALMIRALL PRODESFARMA, S.A. (ES) 2005-09-22 US disclosed
US-20040132768-A1 substituted with (hetero)aryl carbonyloxy group and quaternized, e.g., 3(R)-Diphenylacetoxy-1-(3-phenoxy-propyl)-1-azoniabicyclo[2.2.2]octane; bromide; antimuscarinic agents for treating COPD, chronic bronchitis, asthma and rhinitis. ALMIRALL PRODESFARMA, S.A. (ES) 2004-07-08 US disclosed
US-6750226-B2 FOR MANUFACTURE OF MEDICAMENT FOR USE IN THERAPY OF RESPIRATORY, URINARY OR GASTROINTESTINAL DISEASE ALMIRALL-PRODESFARMA, S.A. (ES) 2004-06-15 US disclosed
EP-1200431-B1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTORS LIGANDS ALMIRALL PRODESFARMA AG (CH) 2003-03-26 EP disclosed
US-20030055080-A1 For manufacture of medicament for use in therapy of respiratory, urinary or gastrointestinal disease ALMIRALL, S.A. (ES) 2003-03-20 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 (10 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-10034867-B2 Quinuclidine derivatives and medicinal compositions containing the same H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CHRM3, OPRD1 CHRM2 8/4885CHRM1 4/4885CHRM3 2/4885
US-20060106056-A1 3(R)-1-Phenethyl-(9[H]-xanthene-9-carbonyloxy)-1-azoniabicyclo[2.2.2] octane quaternary salt with a mono- or polyvalent anion; antimuscarinic agents used to treat chronic obstructive pulmonary disease, chronic bronchitis, bronchial hyperreactivity, asthma, or rhinitis CHRM3, CHRM4, CHRM2 CHRM2 3/4885CHRM1 5/4885CHRM3 1/4885
US-20160296503-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NQO2, CHRM3 CHRM2 11/4885CHRM1 8/4885CHRM3 3/4885
US-20040132768-A1 substituted with (hetero)aryl carbonyloxy group and quaternized, e.g., 3(R)-Diphenylacetoxy-1-(3-phenoxy-propyl)-1-azoniabicyclo[2.2.2]octane; bromide; antimuscarinic agents for treating COPD, chronic bronchitis, asthma and rhinitis. CHRM3, CBR1, CHRNB1 CHRM2 5/4885CHRM1 10/4885CHRM3 1/4885
US-20050209272-A1 3(R)-(2-hydroxy-2,2-dithien-2-ylacetoxy)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2] octane in salt form, particularly bromide or trifluoroacetate, for treatment of respiratory disorders, alone or in combination with other bronchodilatory compounds NR3C2, NR3C1, NR4A3 CHRM2 30/4885CHRM1 64/4885CHRM3 9/4885
US-20190183867-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRNB1, ARRB1 CHRM2 4/4885CHRM1 5/4885CHRM3 1/4885
US-20030055080-A1 For manufacture of medicament for use in therapy of respiratory, urinary or gastrointestinal disease NR1H4, CHRM3, CHRM4 CHRM2 8/4885CHRM1 11/4885CHRM3 2/4885
US-20170319557-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CHRM3, OPRD1 CHRM2 10/4885CHRM1 7/4885CHRM3 2/4885
US-10588895-B2 Quinuclidine derivatives and medicinal compositions containing the same CHRM3, QDPR, CHRM2 CHRM2 3/4885CHRM1 8/4885CHRM3 1/4885
US-20060106055-A1 3(R)-(2-hydroxy-2,2-dithien-2-ylacetoxy)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2] octane in salt form, particularly bromide or trifluoroacetate, for treatment of respiratory disorders, alone or in combination with other bronchodilatory compounds NR3C2, NR3C1, NR4A3 CHRM2 23/4885CHRM1 50/4885CHRM3 7/4885

“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.