SCHEMBL440111

SCHEMBL440111

CN1C2CC(OC(=O)C(O)(c3cccs3)c3cccs3)CC1C1OC12

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
SCHEMBL9889327 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 57 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
EP-2552912-B1 SYNTHESIS METHOD FOR PRODUCING TIOTROPIUM BROMIDE BILGIC MAHMUT (TR) 2017-08-02 EP disclosed
US-9707295-B2 Inhalable medicament TEVA BRANDED PHARMACEUTICAL PRODUCTS R&D, INC. (US) 2017-07-18 US disclosed
US-9655969-B2 Inhalable medicament comprising tiotropium TEVA BRANDED PHARMACEUTICAL PRODUCTS R&D, INC. (US) 2017-05-23 US disclosed
EP-3143998-A1 AN INHALABLE MEDICAMENT COMPRISING TIOTROPIUM Teva Branded Pharmaceutical Products R & D, Inc. (US) 2017-03-22 EP disclosed
US-20160279356-A1 INHALER FOR THE ADMINISTRATION OF AN ANTICHOLINERGIC BOEHRINGER INGELHEIM PHARMA (DE) 2016-09-29 US disclosed
US-9440945-B2 Methods for the synthesis of tiotropium bromide BILGIC MAHMUT (TR) 2016-09-13 US disclosed
US-9440945-B2 Methods for the synthesis of tiotropium bromide BILGIC MAHMUT (TR) 2016-09-13 US disclosed
US-20160250197-A1 AN INHALABLE MEDICAMENT TEVA BRANDED PHARMACEUTICAL PRODUCTS R&D, INC. (US) 2016-09-01 US disclosed
US-20100105913-A1 PROCESS FOR THE PREPARATION OF TIOTROPIUM BROMIDE SICOR, INC. (US) 2010-04-29 US disclosed
US-20100105913-A1 PROCESS FOR THE PREPARATION OF TIOTROPIUM BROMIDE SICOR, INC. (US) 2010-04-29 US disclosed
US-20100099867-A1 PROCESS FOR THE PREPARATION OF TIOTROPIUM BROMIDE SICOR, INC. (US) 2010-04-22 US disclosed
US-20100099867-A1 PROCESS FOR THE PREPARATION OF TIOTROPIUM BROMIDE SICOR, INC. (US) 2010-04-22 US disclosed
US-7662963-B2 Process for the preparation of tiotropium bromide SICOR INC. (US) 2010-02-16 US disclosed
US-20090247747-A1 PROCESS FOR THE PREPARATION OF TIOTROPIUM BROMIDE SICOR, INC. (US) 2009-10-01 US disclosed
US-20090062325-A1 DEUTERIUM-ENRICHED TIOTROPIUM PROTIA, LLC (US) 2009-03-05 US disclosed
US-20090062325-A1 DEUTERIUM-ENRICHED TIOTROPIUM PROTIA, LLC (US) 2009-03-05 US disclosed
US-20080051582-A1 Process for the preparation of tiotropium bromide SICOR INC. (US) 2008-02-28 US disclosed
US-20070167480-A1 Pure and stable tiotropium bromide SICOR INC. (US) 2007-07-19 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-20090062325-A1 DEUTERIUM-ENRICHED TIOTROPIUM MC2R, NR3C2, HSD11B2 CHRM3 76/4885CHRM2 346/4885CHRM1 511/4885
US-20160279356-A1 INHALER FOR THE ADMINISTRATION OF AN ANTICHOLINERGIC TTK, CHRM4, DEK CHRM3 9/4885CHRM2 10/4885CHRM1 36/4885
US-20080051582-A1 Process for the preparation of tiotropium bromide ADRA2B, ADRA1B, CYP3A5 CHRM3 12/4885CHRM2 56/4885CHRM1 158/4885
US-20090247747-A1 PROCESS FOR THE PREPARATION OF TIOTROPIUM BROMIDE ADRA2B, ADRA1B, CYP3A5 CHRM3 12/4885CHRM2 56/4885CHRM1 158/4885
US-20100105913-A1 PROCESS FOR THE PREPARATION OF TIOTROPIUM BROMIDE ADRA2B, ADRA1B, CYP3A5 CHRM3 12/4885CHRM2 56/4885CHRM1 158/4885
US-20070167480-A1 Pure and stable tiotropium bromide THOP1, GUCY1B2, HSD11B2 CHRM3 69/4885CHRM2 105/4885CHRM1 535/4885
US-20100099867-A1 PROCESS FOR THE PREPARATION OF TIOTROPIUM BROMIDE ADRA2B, ADRA1B, CYP3A5 CHRM3 12/4885CHRM2 56/4885CHRM1 158/4885
US-20160250197-A1 AN INHALABLE MEDICAMENT ORAI1, CA2, TRPM8 CHRM3 45/4885CHRM2 156/4885CHRM1 122/4885

“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.