SCHEMBL1471859

SCHEMBL1471859

COC(=O)C(OO)(c1ccccc1)C1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.51
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
CHRM3 P20309 11/20 0.46
ALDH1A1 P00352 2/20 0.46
CHRM2 P08172 5/20 0.45
CHRM4 P08173 4/20 0.44
CHRM1 P11229 4/20 0.44
CHRM5 P08912 1/20 0.44
HRH1 P35367 1/20 0.44
HTR2B P41595 1/20 0.44
KCNH2 Q12809 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL3913639 0.80 KEAP1 (0.57) KCNN4KEAP1NFE2L2CHRM3ALDH1A1
SCHEMBL2062827 0.80 KEAP1 (0.57) KCNN4KEAP1NFE2L2CHRM3ALDH1A1
SCHEMBL2062807 0.79 KEAP1 (0.70) KEAP1NFE2L2CHRM3ALDH1A1CHRM2
SCHEMBL522945 0.79 KEAP1 (0.70) KEAP1NFE2L2CHRM3ALDH1A1CHRM2
SCHEMBL4208886 0.79 CHRM3 (0.64) KCNN4KEAP1NFE2L2CHRM3ALDH1A1
SCHEMBL2655676 0.79 CHRM3 (0.64) KCNN4KEAP1NFE2L2CHRM3ALDH1A1
SCHEMBL2763726 0.79 KEAP1 (0.56) KCNN4KEAP1NFE2L2CHRM3ALDH1A1
SCHEMBL1234889 0.79 KEAP1 (0.70) KEAP1NFE2L2CHRM3ALDH1A1CHRM2
SCHEMBL5262791 0.77 KEAP1 (0.50) KCNN4KEAP1NFE2L2CHRM3ALDH1A1
SCHEMBL1610849 0.77 KEAP1 (0.68) KEAP1NFE2L2CHRM3ALDH1A1CHRM2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364479-A1 PROCESS FOR THE PREPARATION OF GLYCOPYRRONIUM CHLORIDE CHIESI FARMACEUTICI S.P.A. (IT) 2014-12-11 US disclosed
US-8846954-B2 Crystallisation and purification of glycopyrronium bromide SOSEI R&D LTD. (GB) 2014-09-30 US disclosed
EP-2580194-A1 PROCESS FOR THE PREPARATION OF GLYCOPYRRONIUM CHLORIDE Chiesi Farmaceutici S.p.A. (IT) 2013-04-17 EP disclosed
WO-2011157536-A1 PROCESS FOR THE PREPARATION OF GLYCOPYRRONIUM CHLORIDE CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-22 WO disclosed
US-20110306650-A1 PROCESS FOR THE PREPARATION OF GLYCOPYRRONIUM CHLORIDE CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-15 US disclosed
US-7915303-B2 Glycopyrronium salts and their therapeutic use SOSEI R&D LTD. (GB) 2011-03-29 US disclosed
EP-1856041-B1 CRYSTALLISATION AND PURIFICATION OF GLYCOPYRRONIUM BROMIDE SOSEI R & D LTD (GB) 2009-05-13 EP disclosed
US-20090062372-A1 Glycopyrronium Salts and Their Therapeutic Use HEPTARES THERAPEUTICS LIMITED (GB) 2009-03-05 US disclosed
US-20080227988-A1 Reaction of glycopyrronium base with methyl bromide in solvent selected such that diastereoisomeric ratio of product favors R, S and S, R diastereoisomers over R, R, and S, S diastereoisomers, and separating desired diastereoisomers by controlled crystallisation steps; narrow particle size distribution HEPTARES THERAPEUTICS LIMITED (GB) 2008-09-18 US disclosed
EP-1861361-A1 GLYCOPYRRONIUM SALTS AND THEIR THERAPEUTIC USE Sosei R&D Ltd. (GB) 2007-12-05 EP disclosed
EP-1856041-A1 CRYSTALLISATION AND PURIFICATION OF GLYCOPYRRONIUM BROMIDE Sosei R&D Ltd. (GB) 2007-11-21 EP disclosed
WO-2006100453-A1 GLYCOPYRRONIUM SALTS AND THEIR THERAPEUTIC USE SOSEI R & D LTD. (GB) 2006-09-28 WO disclosed
WO-2006092617-A1 CRYSTALLISATION AND PURIFICATION OF GLYCOPYRRONIUM BROMIDE SOSEI R & D LTD. (GB) 2006-09-08 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 (2 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-20080227988-A1 Reaction of glycopyrronium base with methyl bromide in solvent selected such that diastereoisomeric ratio of product favors R, S and S, R diastereoisomers over R, R, and S, S diastereoisomers, and separating desired diastereoisomers by controlled crystallisation steps; narrow particle size distribution TSHR, GYPA, GLRB KCNN4 2884/4885KEAP1 4881/4885NFE2L2 4873/4885
US-20090062372-A1 Glycopyrronium Salts and Their Therapeutic Use TPO, THRB, GYPA KCNN4 379/4885KEAP1 4782/4885NFE2L2 4570/4885

“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.