SCHEMBL1471858

SCHEMBL1471858

COC(=O)C(O)c1cccc(C2CCCC2)c1O

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
SLC6A3 Q01959 3/20 0.36

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
SCHEMBL1222346 0.87 PTGDR2 (0.41) TSHRPTGDR2SLC6A3
SCHEMBL2062415 0.87 PTGDR2 (0.41) TSHRPTGDR2SLC6A3
SCHEMBL2062805 0.87 PTGDR2 (0.41) TSHRPTGDR2SLC6A3
SCHEMBL11467456 0.86 PTGDR2 (0.43) TSHRPTGDR2SLC6A3
SCHEMBL11163642 0.76 GABRA1 (0.55) TSHR
SCHEMBL15253060 0.76 FEN1 (0.40) TSHRPTGDR2
SCHEMBL4618238 0.74 PTGDR2 (0.41) PTGDR2
SCHEMBL9135944 0.74 FEN1 (0.41) TSHRPTGDR2
SCHEMBL25188997 0.73 SLC6A2 (0.43) TSHRPTGDR2SLC6A3
SCHEMBL290175 0.72 TSHR (0.45) TSHRPTGDR2SLC6A3

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 TSHR 1/4885PTGDR2 843/4885SLC6A3 2627/4885
US-20090062372-A1 Glycopyrronium Salts and Their Therapeutic Use TPO, THRB, GYPA TSHR 5/4885PTGDR2 1076/4885SLC6A3 414/4885

“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.