SCHEMBL1900207

SCHEMBL1900207

CN1C2C=CC1CC(OC(=O)C(O)(c1cccs1)c1cccs1)C2

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.60
CHRM2 P08172 12/20 0.60
CHRM1 P11229 10/20 0.57
CHRM4 P08173 2/20 0.57
CHRM5 P08912 2/20 0.57
TSPO P30536 1/20 0.57
ADRA1A P35348 1/20 0.57
HRH1 P35367 1/20 0.57
OPRK1 P41145 1/20 0.57
KCNH2 Q12809 1/20 0.57
PDE3A Q14432 1/20 0.57
TMEM97 Q5BJF2 1/20 0.57

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
SCHEMBL14278854 1.00 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL16742011 1.00 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL14472825 1.00 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL4886984 0.85 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL4886957 0.85 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL4886970 0.85 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL15926494 0.82 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL14278853 0.82 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL14304865 0.82 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL15186127 0.82 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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954211-B2 Chemical compounds ASTRAZENECA AB (SE) 2021-03-23 US disclosed
US-20190330187-A1 Chemical Compounds ASTRAZENECA UK LIMITED (GB) 2019-10-31 US disclosed
EP-2897588-B1 AN INHALABLE MEDICAMENT TEVA BRANDED PHARMACEUTICAL PRODUCTS R&D INC (US) 2019-07-17 EP disclosed
US-10336725-B2 Chemical compounds ASTRAZENECA AB (SE) 2019-07-02 US disclosed
US-20180162838-A1 Chemical Compounds ASTRAZENECA AB (SE) 2018-06-14 US disclosed
EP-3119752-B1 3,4-DIAMINO-6-CHLOROPYRAZINE-2-CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF ENAC MEDIATED DISEASES ASTRAZENECA AB (SE) 2018-05-16 EP disclosed
US-9873678-B2 Chemical compounds ASTRAZENECA AB (SE) 2018-01-23 US disclosed
US-9707295-B2 Inhalable medicament TEVA BRANDED PHARMACEUTICAL PRODUCTS R&D, INC. (US) 2017-07-18 US disclosed
US-20170107195-A1 Chemical Compounds ASTRAZENECA AB (SE) 2017-04-20 US disclosed
EP-3119752-A1 CHEMICAL COMPOUNDS Astrazeneca AB (SE) 2017-01-25 EP 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-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-20090247747-A1 PROCESS FOR THE PREPARATION OF TIOTROPIUM BROMIDE SICOR, INC. (US) 2009-10-01 US disclosed
US-20080051582-A1 Process for the preparation of tiotropium bromide SICOR INC. (US) 2008-02-28 US disclosed
US-20080051582-A1 Process for the preparation of tiotropium bromide SICOR INC. (US) 2008-02-28 US disclosed
US-7321039-B2 Industrial process for preparing tropenol BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-01-22 US disclosed
WO-2008008376-A2 SCOPINE SALTS AND THEIR USE IN PROCESSES FOR THE PREPARATION OF N-DEMETHYL-TIOTROPIUM AND TIOTROPIUM BROMIDE SICOR INC. (US) 2008-01-17 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 (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-20170107195-A1 Chemical Compounds CFTR, SCNN1B, SCNN1A CHRM3 167/4885CHRM2 910/4885CHRM1 953/4885
US-10336725-B2 Chemical compounds CFTR, SCNN1B, SCNN1A CHRM3 167/4885CHRM2 910/4885CHRM1 953/4885
US-20180162838-A1 Chemical Compounds CFTR, SCNN1B, SCNN1A CHRM3 167/4885CHRM2 910/4885CHRM1 953/4885
US-10954211-B2 Chemical compounds CFTR, SCNN1B, SCNN1A CHRM3 167/4885CHRM2 910/4885CHRM1 953/4885
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-20100099867-A1 PROCESS FOR THE PREPARATION OF TIOTROPIUM BROMIDE ADRA2B, ADRA1B, CYP3A5 CHRM3 12/4885CHRM2 56/4885CHRM1 158/4885
US-20190330187-A1 Chemical Compounds CFTR, SCNN1B, SCNN1A CHRM3 167/4885CHRM2 910/4885CHRM1 953/4885

“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.