Tiotropium

Tiotropium

SCHEMBL1405692

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 1.00
CHRM2 P08172 8/20 1.00
CHRM1 P11229 6/20 1.00
CHRM4 P08173 3/20 1.00
CHRM5 P08912 3/20 1.00
TSPO P30536 1/20 1.00
ADRA1A P35348 1/20 1.00
HRH1 P35367 1/20 1.00
OPRK1 P41145 1/20 1.00
KCNH2 Q12809 1/20 1.00
PDE3A Q14432 1/20 1.00
TMEM97 Q5BJF2 1/20 1.00
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 SCHEMBL155760 1.00 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Tiotropium SCHEMBL30426594 1.00 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Tiotropium SCHEMBL2399952 1.00 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Tiotropium SCHEMBL155761 0.99 CHRM3 (0.98) 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 SCHEMBL7607795 0.99 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Tiotropium SCHEMBL440873 0.99 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Tiotropium SCHEMBL15005742 0.99 CHRM3 (1.00) 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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3922240-B1 PHARMACEUTICAL COMPOSITION COMPRISING TIOTROPIUM BROMIDE MEXICHEM FLUOR SA DE CV (MX) 2023-06-21 EP claimed
EP-3515439-B1 PHARMACEUTICAL COMPOSITION COMPRISING TIOTROPIUM BROMIDE MEXICHEM FLUOR SA DE CV (MX) 2021-12-15 EP claimed
EP-2007349-B1 AEROSOL SUSPENSION FORMULATIONS COMPRISING TG 227 EA OR TG 134 A AS PROPELLANTS BOEHRINGER INGELHEIM PHARMA (DE) 2017-08-02 EP claimed
EP-2170270-B1 COMPOSITIONS FOR DELIVERING MEDICAMENTS INTO THE LUNGS, USES THEREOF PAKA PULMONARY PHARMACEUTICALS INC (US) 2016-01-13 EP claimed
EP-2403851-B1 NEW CRYSTALLINE FORMS OF TIOTROPIUM BROMIDE BILGIC MAHMUT (TR) 2015-06-17 EP claimed
EP-1695701-B1 HFA suspension formulations comprising an anticholinergic agent BOEHRINGER INGELHEIM PHARMA (DE) 2015-01-07 EP claimed
EP-1496858-B1 INHALATION KIT COMPRISUNG INHALABLE POWDER OF TIOTROPIUM BOEHRINGER INGELHEIM PHARMA (DE) 2013-08-14 EP claimed
EP-1789405-B1 NOVEL ENANTIOMERICALLY PURE BETA-AGONISTS, METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF A DRUG BOEHRINGER INGELHEIM INT (DE) 2013-07-17 EP claimed
EP-1827541-B1 BLISTER FOR INHALERS BOEHRINGER INGELHEIM INT (DE) 2013-05-29 EP claimed
EP-1881980-B1 NOVEL CRYSTALLINE FORMS OF TIOTROPIUM BROMIDE BOEHRINGER INGELHEIM INT (DE) 2012-08-22 EP claimed
EP-1610787-B1 SYNERGISTIC COMBINATION COMPRISING ROFLUMILAST AND AN ANTICHOLINERGIC AGENT SELECTED FROM TIOTROPIUM SALTS FOR THE TREATMENT OF RESPIRATORY DISEASES NYCOMED GMBH (DE) 2008-01-23 EP claimed
EP-1333819-B1 INHALATIVE SOLUTION FORMULATION CONTAINING A TIOTROPIUM SALT BOEHRINGER INGELHEIM PHARMA (DE) 2007-09-19 EP claimed
EP-1494648-B1 POWDER FORMULATIONS SUITABLE FOR INHALATION BOEHRINGER INGELHEIM PHARMA (DE) 2006-09-20 EP claimed
EP-1401445-B1 CRYSTALLINE ANTICHOLINERGIC, METHOD FOR ITS PRODUCTION, AND USE THEREOF IN THE PRODUCTION OF A DRUG BOEHRINGER INGELHEIM PHARMA (DE) 2006-08-23 EP claimed
CN-1237970-C Inhalative solution formulation containing tiotropium salt BOEHRINGER INGELHEIM PHARMA (DE) 2006-01-25 CN claimed
CN-1473038-A Inhalable formulations comprising tiotropium salt solutions ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-02-04 CN claimed
CN-1473044-A Inhalative solution formulation containing tiotropium salt ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-02-04 CN claimed
CN-116018131-A Fast orodispersible tablet with inner cavity 阿普雷奇亚制药有限责任公司 2023-04-25 CN disclosed
CN-1473044-A Inhalative solution formulation containing tiotropium salt ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-02-04 CN disclosed
US-20020151541-A1 For treatment of respiratory tract diseases BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US disclosed