SCHEMBL9889332

SCHEMBL9889332

CN1CC[C@@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 1.00
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 0.89
CYP2D6 P10635 1/20 0.89
CHRM3 P20309 9/20 0.62
CHRM2 P08172 2/20 0.62
CHRM4 P08173 2/20 0.61
CHRM5 P08912 2/20 0.61
CHRM1 P11229 2/20 0.61
HRH1 P35367 1/20 0.61
HTR2B P41595 1/20 0.61
KCNH2 Q12809 1/20 0.61
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL5391762 1.00 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL418425 1.00 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL10098821 1.00 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL5391765 1.00 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL5395653 1.00 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL1697179 1.00 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL5395648 1.00 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL5385053 0.99 ALDH1A1 (0.98) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL5388340 0.99 ALDH1A1 (0.98) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL5388335 0.99 ALDH1A1 (0.98) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584715-B2 Crystalline form of sofpironium bromide and preparation method thereof BOTANIX SB, INC. (US) 2023-02-21 US disclosed
US-11566000-B2 Crystalline form of sofpironium bromide and preparation method thereof BOTANIX SB, INC. (US) 2023-01-31 US disclosed
US-11352323-B2 Processes for making, and methods of using, glycopyrronium compounds JOURNEY MEDICAL CORPORATION (US) 2022-06-07 US disclosed
US-20220118236-A1 ROLL-ON APPLICATORS AND METHODS FOR TREATING DERMAL CONDITIONS SWK FUNDING LLC 2022-04-21 US disclosed
US-20210395197-A1 CRYSTALLINE FORM OF SOFPIRONIUM BROMIDE AND PREPARATION METHOD THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2021-12-23 US disclosed
US-20210171460-A1 CRYSTALLINE FORM OF SOFPIRONIUM BROMIDE AND PREPARATION METHOD THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2021-06-10 US disclosed
US-20210130289-A1 PROCESSES FOR MAKING, AND METHODS OF USING, GLYCOPYRRONIUM COMPOUNDS SWK FUNDING LLC 2021-05-06 US disclosed
US-10906871-B2 Processes for making, and methods of using, glycopyrronium compounds DERMIRA, INC. (US) 2021-02-02 US disclosed
WO-2020235665-A1 CRYSTALLINE FORM OF SOFPIRONIUM BROMIDE AND PREPARATION METHOD THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2020-11-26 WO disclosed
US-20190161443-A1 PROCESSES FOR MAKING, AND METHODS OF USING, GLYCOPYRRONIUM COMPOUNDS SWK FUNDING LLC 2019-05-30 US disclosed
US-20080242651-A1 3-(2-cyclopentyl-2-phenyl-2-hydroxyacetoxy)-1-(carboxymethyl)-1-methylpyrrolidinium inner salt; muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent BODOR LABORATORIES, INC. 2008-10-02 US disclosed
US-7417147-B2 muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent BODOR LABORATORIES, INC. 2008-08-26 US disclosed
US-7417147-B2 muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent BODOR LABORATORIES, INC. 2008-08-26 US disclosed
US-7399861-B2 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives BODOR LABORATORIES, INC. 2008-07-15 US disclosed
US-7399861-B2 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives BODOR LABORATORIES, INC. 2008-07-15 US disclosed
US-20080027091-A1 e.g. 3-(2-cyclopentyl-2-phenyl-2-hydroxyacetoxy)-1-(carboxymethyl)-1-methylpyrrolidinium inner salt; muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent BODOR LABORATORIES, INC. 2008-01-31 US disclosed
US-20080027091-A1 e.g. 3-(2-cyclopentyl-2-phenyl-2-hydroxyacetoxy)-1-(carboxymethyl)-1-methylpyrrolidinium inner salt; muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent BODOR LABORATORIES, INC. 2008-01-31 US disclosed
US-20070123557-A1 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives BODOR LABORATORIES, INC. 2007-05-31 US disclosed
US-20070123557-A1 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives BODOR LABORATORIES, INC. 2007-05-31 US disclosed
WO-2007058971-A2 SOFT ANTICHOLINERGIC ESTERS BODOR NICHOLAS S (US) 2007-05-24 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 (12 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-20210130289-A1 PROCESSES FOR MAKING, AND METHODS OF USING, GLYCOPYRRONIUM COMPOUNDS GYPA, TPO, CYP21A2 ALDH1A1 2560/4885CYP1A2 523/4885CYP3A4 318/4885
US-11584715-B2 Crystalline form of sofpironium bromide and preparation method thereof POLR2B, COPB2, FXR1 ALDH1A1 4690/4885CYP1A2 1769/4885CYP3A4 535/4885
US-11566000-B2 Crystalline form of sofpironium bromide and preparation method thereof POLR2B, COPB2, FXR1 ALDH1A1 4682/4885CYP1A2 1806/4885CYP3A4 553/4885
US-20080027091-A1 e.g. 3-(2-cyclopentyl-2-phenyl-2-hydroxyacetoxy)-1-(carboxymethyl)-1-methylpyrrolidinium inner salt; muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent CHRM2, ADRB2, ADRB1 ALDH1A1 1867/4885CYP1A2 1405/4885CYP3A4 1722/4885
US-20080242651-A1 3-(2-cyclopentyl-2-phenyl-2-hydroxyacetoxy)-1-(carboxymethyl)-1-methylpyrrolidinium inner salt; muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent CHRM2, CHRM1, CHRM3 ALDH1A1 1752/4885CYP1A2 1678/4885CYP3A4 1898/4885
US-20210171460-A1 CRYSTALLINE FORM OF SOFPIRONIUM BROMIDE AND PREPARATION METHOD THEREOF POLR2B, COPB2, FXR1 ALDH1A1 4682/4885CYP1A2 1806/4885CYP3A4 553/4885
US-11352323-B2 Processes for making, and methods of using, glycopyrronium compounds GYPA, TPO, CYP21A2 ALDH1A1 2560/4885CYP1A2 523/4885CYP3A4 318/4885
US-10906871-B2 Processes for making, and methods of using, glycopyrronium compounds GYPA, TPO, CYP21A2 ALDH1A1 2560/4885CYP1A2 523/4885CYP3A4 318/4885
US-20070123557-A1 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives CHRM2, ADRB1, ADRB2 ALDH1A1 696/4885CYP1A2 520/4885CYP3A4 1136/4885
US-20210395197-A1 CRYSTALLINE FORM OF SOFPIRONIUM BROMIDE AND PREPARATION METHOD THEREOF POLR2B, COPB2, FXR1 ALDH1A1 4690/4885CYP1A2 1769/4885CYP3A4 535/4885
US-20190161443-A1 PROCESSES FOR MAKING, AND METHODS OF USING, GLYCOPYRRONIUM COMPOUNDS GYPA, TPO, CYP21A2 ALDH1A1 2560/4885CYP1A2 523/4885CYP3A4 318/4885
US-20220118236-A1 ROLL-ON APPLICATORS AND METHODS FOR TREATING DERMAL CONDITIONS SLC18A3, ACHE, CUTA ALDH1A1 148/4885CYP1A2 408/4885CYP3A4 1572/4885

“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.