SCHEMBL73588

SCHEMBL73588

CC(C(=O)O)(c1cccs1)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.43
CHRM3 P20309 3/20 0.42
HCAR2 Q8TDS4 1/20 0.41
LMNA P02545 2/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
TSHR P16473 1/20 0.40
KIF11 P52732 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
HPGDS O60760 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
KMT2A Q03164 3/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL5934615 0.89 HDAC3 (0.46) DAOCHRM3LMNAKIF11HPGDS
SCHEMBL6918594 0.84 SMN1; SMN2 (0.43) CHRM3LMNAKIF11SMN1; SMN2KMT2A
SCHEMBL73587 0.83 CHRM3 (0.42) DAOCHRM3LMNACES2CES1
SCHEMBL41617 0.83 DAO (0.43) DAOHCAR2LMNACES2CES1
SCHEMBL599752 0.83 DAO (0.43) DAOHCAR2LMNACES2CES1
SCHEMBL7432298 0.83 DAO (0.43) DAOCHRM3HCAR2LMNACES2
SCHEMBL1492740 0.83 DAO (0.43) DAOCHRM3HCAR2LMNACES2
SCHEMBL1421302 0.83 DAO (0.43) DAOHCAR2LMNACES2CES1
SCHEMBL1827117 0.82 DAO (0.42) DAOCHRM3HCAR2LMNACES2
Hydrochloric Acid SCHEMBL9402263 0.82 DAO (0.42) DAOCHRM3HCAR2LMNACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214600-A1 Quaternized Quinuclidine Esters ALMIRALL PRODESFARMA, SA (ES) 2008-09-04 US claimed
EP-1725552-B1 NEW QUATERNIZED QUINUCLIDINE ESTERS ALMIRALL LAB (ES) 2008-06-25 EP claimed
EP-1725552-A1 NEW QUATERNIZED QUINUCLIDINE ESTERS Almirall Prodesfarma, S.A. (ES) 2006-11-29 EP claimed
WO-2005090342-A1 NEW QUATERNIZED QUINUCLIDINE ESTERS ALMIRALL PRODESFARMA, SA (ES) 2005-09-29 WO 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-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
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
WO-1989008830-A1 THIOACYLATION PEPTIDE SEQUENCING WITH ALCOHOLYSIS OF THIAZOLINONES BIO-AFFINITY SYSTEMS, INC. (US) 1989-09-21 WO disclosed
US-4863870-A Method of thioacylation peptide sequencing with alcoholysis of thiazolinones BIO-AFFINITY SYSTEMS, INC. (US) 1989-09-05 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 (8 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-20080214600-A1 Quaternized Quinuclidine Esters NQO2, QPCT, QARS1 DAO 1540/4885CHRM3 222/4885HCAR2 1713/4885
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 DAO 1634/4885CHRM3 2/4885HCAR2 613/4885
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 DAO 1735/4885CHRM3 3/4885HCAR2 665/4885
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 DAO 1272/4885CHRM3 1/4885HCAR2 70/4885
US-20190183867-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRNB1, ARRB1 DAO 1659/4885CHRM3 1/4885HCAR2 468/4885
US-20030055080-A1 For manufacture of medicament for use in therapy of respiratory, urinary or gastrointestinal disease NR1H4, CHRM3, CHRM4 DAO 1477/4885CHRM3 2/4885HCAR2 28/4885
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 DAO 1727/4885CHRM3 2/4885HCAR2 683/4885
US-10588895-B2 Quinuclidine derivatives and medicinal compositions containing the same CHRM3, QDPR, CHRM2 DAO 1542/4885CHRM3 1/4885HCAR2 423/4885

“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.