Tiotropium

Tiotropium

SCHEMBL19581677

C[N+]1(C)C2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21.[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 0.98
CHRM4 P08173 3/20 0.98
CHRM5 P08912 3/20 0.98
TSPO P30536 1/20 0.98
ADRA1A P35348 1/20 0.98
HRH1 P35367 1/20 0.98
OPRK1 P41145 1/20 0.98
KCNH2 Q12809 1/20 0.98
PDE3A Q14432 1/20 0.98
TMEM97 Q5BJF2 1/20 0.98
ADRB2 P07550 1/20 0.49
BLM P54132 2/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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 SCHEMBL29527286 1.00 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Tiotropium SCHEMBL4589 1.00 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Tiotropium SCHEMBL8625 1.00 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Tiotropium SCHEMBL15005742 1.00 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Tiotropium SCHEMBL14672487 1.00 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Tiotropium SCHEMBL7607795 1.00 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Tiotropium SCHEMBL440873 1.00 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Tiotropium SCHEMBL155760 0.99 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Tiotropium SCHEMBL5448036 0.99 CHRM3 (0.98) CHRM3CHRM2CHRM1CHRM4CHRM5
Tiotropium SCHEMBL2231775 0.99 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3297607-B1 TIOTROPIUM INHALATION SOLUTION FOR NEBULIZATION GLENMARK SPECIALTY SA (CH) 2020-07-22 EP disclosed
US-10653683-B2 Tiotropium inhalation solution for nebulization GLENMARK SPECIALTY S.A. (CH) 2020-05-19 US disclosed
US-10632108-B2 Tiotropium inhalation solution for nebulization GLENMARK SPECIALTY S.A. (CH) 2020-04-28 US disclosed
US-10632109-B2 Tiotropium inhalation solution for nebulization GLENMARK SPECIALTY S.A. (CH) 2020-04-28 US disclosed
US-20190282551-A1 TIOTROPIUM INHALATION SOLUTION FOR NEBULIZATION GLENMARK SPECIALTY S.A. (CH) 2019-09-19 US disclosed
US-20190231758-A1 TIOTROPIUM INHALATION SOLUTION FOR NEBULIZATION GLENMARK SPECIALTY S.A. (CH) 2019-08-01 US disclosed
US-20190105306-A1 TIOTROPIUM INHALATION SOLUTION FOR NEBULIZATION GLENMARK SPECIALTY S.A. (CH) 2019-04-11 US disclosed
US-9987260-B2 Tiotropium inhalation solution for nebulization GLENMARK SPECIALTY S.A. (CH) 2018-06-05 US disclosed
US-20170326117-A1 TIOTROPIUM INHALATION SOLUTION FOR NEBULIZATION GLENMARK SPECIALTY S.A. (CH) 2017-11-16 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 (7 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-10632109-B2 Tiotropium inhalation solution for nebulization IL5, CFTR, THOP1 CHRM3 18/4885CHRM2 65/4885CHRM1 90/4885
US-10632108-B2 Tiotropium inhalation solution for nebulization IL5, CFTR, THOP1 CHRM3 18/4885CHRM2 65/4885CHRM1 90/4885
US-20190231758-A1 TIOTROPIUM INHALATION SOLUTION FOR NEBULIZATION IL5, CFTR, THOP1 CHRM3 18/4885CHRM2 65/4885CHRM1 90/4885
US-10653683-B2 Tiotropium inhalation solution for nebulization IL5, CFTR, THOP1 CHRM3 18/4885CHRM2 65/4885CHRM1 90/4885
US-20170326117-A1 TIOTROPIUM INHALATION SOLUTION FOR NEBULIZATION IL5, CFTR, THOP1 CHRM3 18/4885CHRM2 65/4885CHRM1 90/4885
US-20190282551-A1 TIOTROPIUM INHALATION SOLUTION FOR NEBULIZATION IL5, CFTR, THOP1 CHRM3 18/4885CHRM2 65/4885CHRM1 90/4885
US-20190105306-A1 TIOTROPIUM INHALATION SOLUTION FOR NEBULIZATION IL5, CFTR, THOP1 CHRM3 18/4885CHRM2 65/4885CHRM1 90/4885

“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.