Ipratropium

Ipratropium

SCHEMBL17271494

Br.CC(C)[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.[Br-]

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CHRM3

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

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 known ✓ P20309 5/20 0.96
▸ CHRM2 P08172 7/20 0.96
▸ CHRM5 P08912 6/20 0.96
▸ CHRM1 P11229 5/20 0.96
▸ CHRM4 P08173 4/20 0.96
▸ MEN1 O00255 3/20 0.96
▸ KMT2A Q03164 3/20 0.96
▸ SMN1; SMN2 Q16637 2/20 0.96
▸ TSHR P16473 2/20 0.95
▸ BLM P54132 5/20 0.79
▸ PABPC1 P11940 1/20 0.75
▸ CYP2C19 P33261 1/20 0.73
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ KDM4E B2RXH2 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ POLB P06746 1/20 0.61
▸ ADRA2C P18825 1/20 0.61

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
Ipratropium SCHEMBL99102 1.00 CHRM2 (0.96) CHRM2CHRM5CHRM1CHRM3CHRM4
Ipratropium SCHEMBL8442770 1.00 CHRM2 (0.96) CHRM2CHRM5CHRM1CHRM3CHRM4
Ipratropium SCHEMBL28500928 0.99 CHRM2 (0.94) CHRM2CHRM5CHRM1CHRM3CHRM4
Ipratropium SCHEMBL1476943 0.99 CHRM2 (0.98) CHRM2CHRM5CHRM1CHRM3CHRM4
Ipratropium SCHEMBL27539194 0.99 CHRM2 (0.98) CHRM2CHRM5CHRM1CHRM3CHRM4
Ipratropium SCHEMBL19211133 0.99 CHRM2 (0.98) CHRM2CHRM5CHRM1CHRM3CHRM4
Ipratropium SCHEMBL22467689 0.99 CHRM2 (0.98) CHRM2CHRM5CHRM1CHRM3CHRM4
Ipratropium SCHEMBL99101 0.99 CHRM2 (0.98) CHRM2CHRM5CHRM1CHRM3CHRM4
Ipratropium SCHEMBL16762661 0.99 CHRM2 (0.98) CHRM2CHRM5CHRM1CHRM3CHRM4
Ipratropium SCHEMBL3854 0.99 CHRM2 (0.98) CHRM2CHRM5CHRM1CHRM3CHRM4

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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 — — US disclosed
US-20230242530-A1 8-(AZETIDIN-1-YL)-[1,2,4]TRIAZOLO[1,5-A]PYRIDINYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2023-08-03 — — US disclosed
US-20230206644-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AS JAK INHIBITORS GENENTECH, INC. (US) 2023-06-29 — — US disclosed
EP-4198036-A1 8-(AZETIDIN-1-YL)-[1,2,4]TRIAZOLO[1,5-A] PYRIDINYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2023-06-21 — — EP disclosed
US-20230167123-A1 TETRAZOLE-SUBSTITUTED PYRAZOLOPYRIMIDINE INHIBITORS OF JAK KINASES AND USES THEREOF GENENTECH, INC. (US) 2023-06-01 — — US disclosed
US-11649241-B2 Pyrazolochlorophenyl compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-05-16 — — US disclosed
EP-3510030-B1 8-(AZETIDIN-1-YL)-[1,2,4]TRIAZOLO[1,5-A]PYRIDINYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2023-03-22 — — EP disclosed
US-20230016791-A1 INHALABLE DRY POWDER AND AEROSOL FORMULATIONS OF JAK INHIBITORS GENENTECH, INC. (US) 2023-01-19 — — US disclosed
US-20220204517-A1 INHALED POWDER FORMULATIONS GENENTECH, INC. (US) 2022-06-30 — — US disclosed
EP-3596072-B1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2022-06-22 — — EP disclosed
WO-2018046409-A1 8-(AZETIDIN-1-YL)-[1,2,4]TRIAZOLO[1,5-A]PYRIDINYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2018-03-15 — — WO disclosed
WO-2017191098-A1 PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-11-09 — — WO disclosed
WO-2017089390-A1 JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-06-01 — — WO disclosed
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-05-25 — — US disclosed
EP-3145929-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS F. Hoffmann-La Roche AG (CH) 2017-03-29 — — EP disclosed
US-9604984-B2 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2017-03-28 — — US disclosed
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-08-18 — — US disclosed
US-9346815-B2 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2016-05-24 — — US disclosed
US-20150336962-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-11-26 — — US disclosed
WO-2015177326-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-11-26 — — 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 (9 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-20230167123-A1 TETRAZOLE-SUBSTITUTED PYRAZOLOPYRIMIDINE INHIBITORS OF JAK KINASES AND USES THEREOF JAK2, JAK1, JAK3 CHRM3 3898/4885CHRM2 3021/4885CHRM5 3902/4885
US-20230016791-A1 INHALABLE DRY POWDER AND AEROSOL FORMULATIONS OF JAK INHIBITORS JAK1, JAK2, JAK3 CHRM3 100/4885CHRM2 46/4885CHRM5 294/4885
US-20230242530-A1 8-(AZETIDIN-1-YL)-[1,2,4]TRIAZOLO[1,5-A]PYRIDINYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 CHRM3 4621/4885CHRM2 4643/4885CHRM5 4767/4885
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 CHRM3 4680/4885CHRM2 4823/4885CHRM5 4846/4885
US-20150336962-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 CHRM3 4835/4885CHRM2 4879/4885CHRM5 4743/4885
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 CHRM3 4835/4885CHRM2 4879/4885CHRM5 4743/4885
US-11649241-B2 Pyrazolochlorophenyl compounds, compositions and methods of use thereof JAK1, JAK2, JAK3 CHRM3 4437/4885CHRM2 4826/4885CHRM5 4771/4885
US-20220204517-A1 INHALED POWDER FORMULATIONS JAK1, STAT5A, JAK2 CHRM3 128/4885CHRM2 129/4885CHRM5 257/4885
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 CHRM3 4835/4885CHRM2 4879/4885CHRM5 4743/4885

“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.

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