SCHEMBL72300

SCHEMBL72300

O=C(OC1C[N+]2(CCCc3ccccc3)CCC1CC2)C1(O)c2ccccc2-c2ccccc21

nearest known ligand 0.88

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.88
CHRM2 P08172 18/20 0.88
CHRM1 P11229 13/20 0.88

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
SCHEMBL72301 1.00 CHRM3 (0.88) CHRM3CHRM2CHRM1
SCHEMBL73230 0.97 CHRM3 (0.86) CHRM3CHRM2CHRM1
SCHEMBL73229 0.97 CHRM3 (0.86) CHRM3CHRM2CHRM1
SCHEMBL72143 0.89 CHRM3 (0.89) CHRM3CHRM2CHRM1
SCHEMBL72144 0.89 CHRM3 (0.89) CHRM3CHRM2CHRM1
SCHEMBL4636660 0.87 CHRM3 (0.80) CHRM3CHRM2CHRM1
SCHEMBL2075715 0.87 CHRM3 (0.94) CHRM3CHRM2CHRM1
SCHEMBL72407 0.87 CHRM3 (0.94) CHRM3CHRM2CHRM1
SCHEMBL2075792 0.86 CHRM3 (0.87) CHRM3CHRM2CHRM1
SCHEMBL2075793 0.86 CHRM3 (0.87) CHRM3CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20150246026-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA, S.A. (ES) 2015-09-03 US disclosed
US-9056100-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2015-06-16 US disclosed
US-20140303126-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA, S.A. (ES) 2014-10-09 US disclosed
US-7750023-B2 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, S.A. 2010-07-06 US disclosed
US-20080221155-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) 2008-09-11 US disclosed
US-7358260-B2 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 LABORATORIES ALMIRALL, S.A. (ES) 2008-04-15 US disclosed
US-7214687-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL AG (CH) 2007-05-08 US disclosed
US-20070099953-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) 2007-05-03 US disclosed
US-7109210-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL PRODESFARMA AG (CH) 2006-09-19 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 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 CHRM3 2/4885CHRM2 8/4885CHRM1 4/4885
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 CHRM3 3/4885CHRM2 11/4885CHRM1 8/4885
US-20140303126-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NR4A1, CHRM4, NR4A3 CHRM3 4/4885CHRM2 9/4885CHRM1 8/4885
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 CHRM3 1/4885CHRM2 5/4885CHRM1 10/4885
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 CHRM3 9/4885CHRM2 30/4885CHRM1 64/4885
US-20190183867-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRNB1, ARRB1 CHRM3 1/4885CHRM2 4/4885CHRM1 5/4885
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 CHRM3 2/4885CHRM2 10/4885CHRM1 7/4885
US-20150246026-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NR4A1, CHRM4, NR4A3 CHRM3 10/4885CHRM2 11/4885CHRM1 21/4885
US-20080221155-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 CHRM3 1/4885CHRM2 3/4885CHRM1 5/4885
US-10588895-B2 Quinuclidine derivatives and medicinal compositions containing the same CHRM3, QDPR, CHRM2 CHRM3 1/4885CHRM2 3/4885CHRM1 8/4885
US-20070099953-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 CHRM3 1/4885CHRM2 3/4885CHRM1 5/4885
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 CHRM3 7/4885CHRM2 23/4885CHRM1 50/4885

“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.