SCHEMBL9889327

SCHEMBL9889327

CN1[C@@H]2C[C@@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@H]1[C@@H]1O[C@@H]12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 9/20 0.69
CHRM2 P08172 6/20 0.69
CHRM1 P11229 6/20 0.66
CHRM4 P08173 3/20 0.66
CHRM5 P08912 2/20 0.66
TSPO P30536 1/20 0.66
ADRA1A P35348 1/20 0.66
HRH1 P35367 1/20 0.66
OPRK1 P41145 1/20 0.66
KCNH2 Q12809 1/20 0.66
PDE3A Q14432 1/20 0.66
TMEM97 Q5BJF2 1/20 0.66
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
NFKB1 P19838 1/20 0.47
HIF1A Q16665 1/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 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
SCHEMBL14839390 1.00 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL14304865 1.00 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL15616860 1.00 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL12877443 1.00 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL15186127 1.00 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL15926494 1.00 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL12880046 1.00 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL13841831 1.00 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL14278853 1.00 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL440111 1.00 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2897588-B1 AN INHALABLE MEDICAMENT TEVA BRANDED PHARMACEUTICAL PRODUCTS R&D INC (US) 2019-07-17 EP disclosed
EP-2897589-B1 AN INHALABLE MEDICAMENT TEVA BRANDED PHARMACEUTICAL PROD R & D INC (US) 2018-01-03 EP disclosed
US-9707295-B2 Inhalable medicament TEVA BRANDED PHARMACEUTICAL PRODUCTS R&D, INC. (US) 2017-07-18 US disclosed
US-20160250197-A1 AN INHALABLE MEDICAMENT TEVA BRANDED PHARMACEUTICAL PRODUCTS R&D, INC. (US) 2016-09-01 US disclosed
US-20160243241-A1 INHALABLE MEDICAMENT TEVA BRANDED PHARMACEUTICAL PRODUCTS R&D, INC. (US) 2016-08-25 US disclosed
US-9364540-B2 Inhalable medicament TEVA BRANDED PHARMACEUTICAL PRODUCTS R&D, INC. (US) 2016-06-14 US disclosed
US-20150190510-A1 INHALABLE MEDICAMENT TEVA BRANDED PHARMACEUTICAL PRODUCTS R&D, INC. (US) 2015-07-09 US disclosed
US-8628759-B2 Soft anticholinergic esters BODOR LABORATORIES, INC. (US) 2014-01-14 US disclosed
US-8628759-B2 Soft anticholinergic esters BODOR LABORATORIES, INC. (US) 2014-01-14 US disclosed
US-8568699-B2 Soft anticholinergic zwitterions BODOR LABORATORIES, INC. 2013-10-29 US disclosed
US-7417147-B2 muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent BODOR LABORATORIES, INC. 2008-08-26 US disclosed
US-7417147-B2 muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent BODOR LABORATORIES, INC. 2008-08-26 US disclosed
US-7399861-B2 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives BODOR LABORATORIES, INC. 2008-07-15 US disclosed
US-7399861-B2 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives BODOR LABORATORIES, INC. 2008-07-15 US disclosed
US-20080027091-A1 e.g. 3-(2-cyclopentyl-2-phenyl-2-hydroxyacetoxy)-1-(carboxymethyl)-1-methylpyrrolidinium inner salt; muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent BODOR LABORATORIES, INC. 2008-01-31 US disclosed
US-20080027091-A1 e.g. 3-(2-cyclopentyl-2-phenyl-2-hydroxyacetoxy)-1-(carboxymethyl)-1-methylpyrrolidinium inner salt; muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent BODOR LABORATORIES, INC. 2008-01-31 US disclosed
US-20070123557-A1 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives BODOR LABORATORIES, INC. 2007-05-31 US disclosed
US-20070123557-A1 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives BODOR LABORATORIES, INC. 2007-05-31 US disclosed
WO-2007058971-A2 SOFT ANTICHOLINERGIC ESTERS BODOR NICHOLAS S (US) 2007-05-24 WO disclosed
WO-2007059021-A1 SOFT ANTICHOLINERGIC ZWITTERIONS BODOR NICHOLAS S (US) 2007-05-24 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 (5 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-20080027091-A1 e.g. 3-(2-cyclopentyl-2-phenyl-2-hydroxyacetoxy)-1-(carboxymethyl)-1-methylpyrrolidinium inner salt; muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent CHRM2, ADRB2, ADRB1 CHRM3 5/4885CHRM2 1/4885CHRM1 4/4885
US-20160243241-A1 INHALABLE MEDICAMENT CA2, TMCO1, ORAI1 CHRM3 77/4885CHRM2 262/4885CHRM1 85/4885
US-20070123557-A1 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives CHRM2, ADRB1, ADRB2 CHRM3 7/4885CHRM2 1/4885CHRM1 4/4885
US-20160250197-A1 AN INHALABLE MEDICAMENT ORAI1, CA2, TRPM8 CHRM3 45/4885CHRM2 156/4885CHRM1 122/4885
US-20150190510-A1 INHALABLE MEDICAMENT CA2, TMCO1, ORAI1 CHRM3 77/4885CHRM2 262/4885CHRM1 85/4885

“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.