Tiotropium

Tiotropium

SCHEMBL5448036

C[N+]1(C)[C@@H]2CC(OC(=O)C(O)(c3cccs3)c3cccs3)C[C@H]1[C@@H]1O[C@@H]12.Cl.[Br-]

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CHRM3

The experimentally established mechanism targets of Tiotropium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM3 known ✓ P20309 17/20 0.98
CHRM2 P08172 8/20 0.98
CHRM1 P11229 6/20 0.96
CHRM4 P08173 3/20 0.96
CHRM5 P08912 3/20 0.96
TSPO P30536 1/20 0.96
ADRA1A P35348 1/20 0.96
HRH1 P35367 1/20 0.96
OPRK1 P41145 1/20 0.96
KCNH2 Q12809 1/20 0.96
PDE3A Q14432 1/20 0.96
TMEM97 Q5BJF2 1/20 0.96
ADRB2 P07550 1/20 0.48
BLM P54132 2/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
Tiotropium SCHEMBL7607795 0.99 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Tiotropium SCHEMBL440873 0.99 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Tiotropium SCHEMBL8625 0.99 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Tiotropium SCHEMBL15005742 0.99 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Tiotropium SCHEMBL14672487 0.99 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Tiotropium SCHEMBL19581677 0.99 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Tiotropium SCHEMBL4589 0.99 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Tiotropium SCHEMBL29527286 0.99 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Tiotropium SCHEMBL1405692 0.98 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Tiotropium SCHEMBL2231775 0.98 CHRM3 (0.98) 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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170304197-A1 FORMULATIONS CONTAINING TIOTROPIUM, AMINO ACID AND ACID AND METHODS THEREOF PULMATRIX OPERATING COMPANY, INC. (US) 2017-10-26 US claimed
US-20170304198-A1 IMPROVED STABILITY OF DRY POWDERS CONTAINING TIOTROPIUM AND AMINO ACID PULMATRIX OPERATING COMPANY, INC. 2017-10-26 US claimed
EP-3203985-A1 IMPROVED STABILITY OF DRY POWDERS CONTAINING TIOTROPIUM AND AMINO ACID Pulmatrix Operating Company, Inc. (US) 2017-08-16 EP claimed
EP-3203982-A1 FORMULATIONS CONTAINING TIOTROPIUM, AMINO ACID AND ACID AND METHODS THEREOF Pulmatrix Operating Company, Inc. (US) 2017-08-16 EP claimed
WO-2016057644-A1 IMPROVED STABILITY OF DRY POWDERS CONTAINING TIOTROPIUM AND AMINO ACID PULMATRIX OPERATING COMPANY, INC. (US) 2016-04-14 WO claimed
WO-2016057641-A1 FORMULATIONS CONTAINING TIOTROPIUM, AMINO ACID AND ACID AND METHODS THEREOF PULMATRIX OPERATING COMPANY, INC. (US) 2016-04-14 WO claimed
EP-2067779-B9 Tiotropium salts, method for their production and medicinal formulas containing them BOEHRINGER INGELHEIM INT (DE) 2013-10-16 EP claimed
EP-2067779-B1 Tiotropium salts, method for their production and medicinal formulas containing them BOEHRINGER INGELHEIM INT (DE) 2013-04-24 EP claimed
US-20050256149-A1 Pharmaceutical compositions containing tiotropium salts and low-solubility salmeterol salts BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-11-17 US claimed
US-20050131007-A1 Process for preparing new tiotropium salts, new tiotropium salts as such and pharmaceutical compositions thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-16 US claimed
US-20030130300-A1 Respiratory system disorders; synergistic mixtures BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-10 US claimed
CN-117280030-A Agents, compositions and methods for treating hypoxia and ischemia related conditions 梅兰德制药公司 2023-12-22 CN disclosed
CN-116940351-A Prodrug compositions and methods of treatment 阿奎斯蒂弗医疗股份有限公司 2023-10-24 CN disclosed
CN-116507327-A Chewable formulations 礼蓝动物保健有限公司 2023-07-28 CN disclosed
CN-107249570-B Gel formulations for topical drug delivery 丹麦技术大学 2022-08-09 CN disclosed
WO-2014007768-A1 DRY POWDER INHALER COMPOSITIONS COMPRISING LONG ACTING MUSCORINIC ANTAGONISTS SANOVEL ILAC SANAYI VE TICARET ANONIM SIRKETI (TR) 2014-01-09 WO disclosed
US-20130302260-A1 NOVEL PROPELLANT CONTAINING PREPARATIONS FOR TIOTROPIUM BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 US disclosed
CN-101123970-A Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with an anticholinergic bronchodilator for the treatment of asthma or chronic obstructive pulmonary disease EPIGENESIS PHARMACEUTICALS LLC (US) 2008-02-13 CN disclosed
US-20070117788-A1 Combination of a dopamine D2-receptor agonist and tiotropium or a derivative therof for treating obstructive airways and other inflammatory diseases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-05-24 US disclosed
US-20050131007-A1 Process for preparing new tiotropium salts, new tiotropium salts as such and pharmaceutical compositions thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-16 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 (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-20070117788-A1 Combination of a dopamine D2-receptor agonist and tiotropium or a derivative therof for treating obstructive airways and other inflammatory diseases CHRM2, ADRB2, CHRM3 CHRM3 3/4885CHRM2 1/4885CHRM1 12/4885
US-20050131007-A1 Process for preparing new tiotropium salts, new tiotropium salts as such and pharmaceutical compositions thereof CHRM3, ADRB3, CHRNA5 CHRM3 1/4885CHRM2 26/4885CHRM1 32/4885
US-20130302260-A1 NOVEL PROPELLANT CONTAINING PREPARATIONS FOR TIOTROPIUM PDE6A, PDE6H, PDE6C CHRM3 25/4885CHRM2 107/4885CHRM1 136/4885
US-20050256149-A1 Pharmaceutical compositions containing tiotropium salts and low-solubility salmeterol salts ADRB3, ADRB1, HSD3B1 CHRM3 8/4885CHRM2 44/4885CHRM1 62/4885
US-20030130300-A1 Respiratory system disorders; synergistic mixtures ADRB3, ADRB1, CHRM3 CHRM3 3/4885CHRM2 32/4885CHRM1 48/4885

“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.