SCHEMBL4213705

SCHEMBL4213705

CC(C(=O)O)(c1ccccc1)C1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.61
NFE2L2 Q16236 1/20 0.61
CHRM3 P20309 17/20 0.57
CHRM2 P08172 8/20 0.53
CHRM1 P11229 7/20 0.53
CHRM4 P08173 6/20 0.53
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL4203592 1.00 KEAP1 (0.61) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL4203042 1.00 KEAP1 (0.61) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL2788610 0.98 KEAP1 (0.59) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL14587261 0.96 KEAP1 (0.56) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL4243455 0.92 KEAP1 (0.50) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL4243228 0.92 KEAP1 (0.50) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL27749385 0.92 KEAP1 (0.50) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL13928640 0.89 CHRM3 (0.57) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL2656123 0.86 CHRM3 (0.55) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL26134188 0.86 CHRM3 (0.55) KEAP1NFE2L2CHRM3CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542232-B2 Process for production of glycopyrronium tosylate JOURNEY MEDICAL CORPORATION (US) 2023-01-03 US disclosed
US-20210002219-A1 PROCESS FOR PRODUCTION OF GLYCOPYRRONIUM TOSYLATE SWK FUNDING LLC 2021-01-07 US disclosed
US-20190225580-A1 PROCESS FOR PRODUCTION OF GLYCOPYRRONIUM TOSYLATE DERMIRA, INC. 2019-07-25 US disclosed
US-10294201-B2 Process for production of glycopyrronium tosylate DERMIRA, INC. (US) 2019-05-21 US disclosed
US-20180186735-A1 PROCESS FOR PRODUCTION OF GLYCOPYRRONIUM TOSYLATE SWK FUNDING LLC 2018-07-05 US disclosed
US-9926270-B2 Process for production of glycopyrronium tosylate DERMIRA, INC. (US) 2018-03-27 US disclosed
US-20090233965-A1 Alkyl Esters Of Cyclic Amino Alcohols With Muscarinic M3 Receptor Antagonist Activity, Useful For Treating E.G. Chronic Bronchial Obstruction, Asthma And Overactive Bladder ASTRAZENECA AB (SE) 2009-09-17 US disclosed
US-20090233965-A1 Alkyl Esters Of Cyclic Amino Alcohols With Muscarinic M3 Receptor Antagonist Activity, Useful For Treating E.G. Chronic Bronchial Obstruction, Asthma And Overactive Bladder ASTRAZENECA AB (SE) 2009-09-17 US disclosed
US-20090233965-A1 Alkyl Esters Of Cyclic Amino Alcohols With Muscarinic M3 Receptor Antagonist Activity, Useful For Treating E.G. Chronic Bronchial Obstruction, Asthma And Overactive Bladder ASTRAZENECA AB (SE) 2009-09-17 US disclosed
CN-101490003-A New alkyl esters of cyclic amino alcohols with muscarinic m3 receptor antagonist activity, useful for treating e.g. chronic bronchial obstruction, asthma and overactive bladder ASTRAZENECA AB (SE) 2009-07-22 CN disclosed
US-20090042942-A1 Muscarinic Receptor Antagonists ASTRAZENECA AB (SE) 2009-02-12 US disclosed
US-20090042942-A1 Muscarinic Receptor Antagonists ASTRAZENECA AB (SE) 2009-02-12 US disclosed
US-20090042942-A1 Muscarinic Receptor Antagonists ASTRAZENECA AB (SE) 2009-02-12 US disclosed
EP-2013172-A1 NEW ALKYL ESTERS OF CYCLIC AMINO ALCOHOLS WITH MUSCARINIC M3 RECEPTOR ANTAGONIST ACTIVITY, USEFUL FOR TREATING E.G. CHRONIC BRONCHIAL OBSTRUCTION, ASTHMA AND OVERACTIVE BLADDER AstraZeneca AB (SE) 2009-01-14 EP disclosed
CN-101163673-A Novel muscarinic receptor antagonists ASTRAZENECA AB (SE) 2008-04-16 CN disclosed
EP-1874727-A1 NEW MUSCARINIC RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2008-01-09 EP disclosed
WO-2007123465-A1 NEW ALKYL ESTERS OF CYCLIC AMINO ALCOHOLS WITH MUSCARINIC M3 RECEPTOR ANTAGONIST ACTIVITY, USEFUL FOR TREATING E.G. CHRONIC BRONCHIAL OBSTRUCTION, ASTHMA AND OVERACTIVE BLADDER ASTRAZENECA AB (SE) 2007-11-01 WO disclosed
WO-2007123465-A1 NEW ALKYL ESTERS OF CYCLIC AMINO ALCOHOLS WITH MUSCARINIC M3 RECEPTOR ANTAGONIST ACTIVITY, USEFUL FOR TREATING E.G. CHRONIC BRONCHIAL OBSTRUCTION, ASTHMA AND OVERACTIVE BLADDER ASTRAZENECA AB (SE) 2007-11-01 WO disclosed
WO-2006112778-A1 NEW MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2006-10-26 WO disclosed
WO-1994012029-A1 USE OF FUSED RING CYCLOPENTANONES AND CYCLOPENTENONES IN CONTROLLING PLANT GROWTH BRITISH TECHNOLOGY GROUP LIMITED (GB) 1994-06-09 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 (7 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-20090042942-A1 Muscarinic Receptor Antagonists CHRM2, CHRM3, CHRM1 KEAP1 2761/4885NFE2L2 4636/4885CHRM3 2/4885
US-20210002219-A1 PROCESS FOR PRODUCTION OF GLYCOPYRRONIUM TOSYLATE TPO, GYPA, THRA KEAP1 4660/4885NFE2L2 4800/4885CHRM3 1482/4885
US-20090233965-A1 Alkyl Esters Of Cyclic Amino Alcohols With Muscarinic M3 Receptor Antagonist Activity, Useful For Treating E.G. Chronic Bronchial Obstruction, Asthma And Overactive Bladder CHRM3, CHRM2, CHRM1 KEAP1 3069/4885NFE2L2 3953/4885CHRM3 1/4885
US-20180186735-A1 PROCESS FOR PRODUCTION OF GLYCOPYRRONIUM TOSYLATE TPO, GYPA, THRA KEAP1 4660/4885NFE2L2 4800/4885CHRM3 1482/4885
US-10294201-B2 Process for production of glycopyrronium tosylate TPO, GYPA, THRA KEAP1 4660/4885NFE2L2 4800/4885CHRM3 1482/4885
US-20190225580-A1 PROCESS FOR PRODUCTION OF GLYCOPYRRONIUM TOSYLATE TPO, GYPA, THRA KEAP1 4660/4885NFE2L2 4800/4885CHRM3 1482/4885
US-11542232-B2 Process for production of glycopyrronium tosylate TPO, GYPA, THRA KEAP1 4660/4885NFE2L2 4800/4885CHRM3 1482/4885

“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.