SCHEMBL74962

SCHEMBL74962

ClCCCOc1cccc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 12/20 0.70
KCNA3 P22001 1/20 0.68
SLC6A4 P31645 2/20 0.64
HRH1 P35367 1/20 0.64
HTR1D P28221 2/20 0.61
NR2E1 Q9Y466 1/20 0.58
TDP1 Q9NUW8 1/20 0.57
KMT2A Q03164 1/20 0.55

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
SCHEMBL10990802 0.94 KCNA3 (0.71) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL7381285 0.92 KCNA3 (0.69) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL10525295 0.92 KCNA3 (0.69) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL1900320 0.92 HTR1B (0.67) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL2177350 0.90 HTR1B (0.78) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL9770352 0.90 KCNA3 (0.81) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL16902840 0.88 KCNA3 (0.79) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL16902854 0.88 KCNA3 (0.79) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL16902853 0.88 KCNA3 (0.79) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL16902852 0.88 KCNA3 (0.79) HTR1BKCNA3SLC6A4HRH1HTR1D

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 48 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-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-20150246026-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA, S.A. (ES) 2015-09-03 US disclosed
EP-1200431-B3 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTORS LIGANDS ALMIRALL SA (ES) 2015-06-24 EP 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
US-20040072863-A1 Novel quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2004-04-15 US disclosed
EP-1353919-A2 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Almirall Prodesfarma AG (CH) 2003-10-22 EP 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
WO-2002053564-A2 QUINUCLIDINE DERIVATIVES AND THEIR USE AS M3 ANTAGONISTS ALMIRALL PRODESFARMA AG (CH) 2002-07-11 WO disclosed
EP-1200431-A2 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR LIGANDS Almirall Prodesfarma, S.A. (ES) 2002-05-02 EP disclosed
WO-2001004118-A2 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR LIGANDS ALMIRALL PRODESFARMA S.A. (ES) 2001-01-18 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 (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 HTR1B 851/4885KCNA3 460/4885SLC6A4 1296/4885
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 HTR1B 1441/4885KCNA3 609/4885SLC6A4 2619/4885
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 HTR1B 177/4885KCNA3 940/4885SLC6A4 1263/4885
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 HTR1B 1273/4885KCNA3 463/4885SLC6A4 429/4885
US-20190183867-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRNB1, ARRB1 HTR1B 320/4885KCNA3 1179/4885SLC6A4 3289/4885
US-20030055080-A1 For manufacture of medicament for use in therapy of respiratory, urinary or gastrointestinal disease NR1H4, CHRM3, CHRM4 HTR1B 447/4885KCNA3 861/4885SLC6A4 494/4885
US-20040072863-A1 Novel quinuclidine derivatives and medicinal compositions containing the same CYP11B1, CYP3A7, CBR1 HTR1B 462/4885KCNA3 2142/4885SLC6A4 1494/4885
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 HTR1B 902/4885KCNA3 421/4885SLC6A4 1154/4885
US-20150246026-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NR4A1, CHRM4, NR4A3 HTR1B 1332/4885KCNA3 738/4885SLC6A4 701/4885
US-10588895-B2 Quinuclidine derivatives and medicinal compositions containing the same CHRM3, QDPR, CHRM2 HTR1B 281/4885KCNA3 826/4885SLC6A4 3122/4885

“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.