SCHEMBL2764243

SCHEMBL2764243

O=C(O)C(O)(c1ccccc1)C1CCCCCC1

nearest known ligand 0.96

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.96
NFE2L2 Q16236 1/20 0.96
CHRM3 P20309 11/20 0.57
CHRM2 P08172 9/20 0.57
CHRM1 P11229 8/20 0.57
POLB P06746 1/20 0.55
ALDH1A1 P00352 2/20 0.54
KCNH2 Q12809 2/20 0.52
SLC6A3 Q01959 1/20 0.52
CHRM4 P08173 1/20 0.51
CHRM5 P08912 1/20 0.51
HRH1 P35367 1/20 0.51
HTR2B P41595 1/20 0.51
CYP1A2 P05177 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL1235433 1.00 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL3909615 1.00 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL198312 1.00 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL198082 1.00 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL29903954 1.00 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
Hydrochloric Acid SCHEMBL6004238 0.98 KEAP1 (0.93) KEAP1NFE2L2CHRM3CHRM2CHRM1
Hydrochloric Acid SCHEMBL8197629 0.98 KEAP1 (0.93) KEAP1NFE2L2CHRM3CHRM2CHRM1
Hydrochloric Acid SCHEMBL8204903 0.98 KEAP1 (0.93) KEAP1NFE2L2CHRM3CHRM2CHRM1
Water SCHEMBL8898031 0.98 KEAP1 (0.93) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL415801 0.98 KEAP1 (1.00) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718281-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-09 EP claimed
EP-1968980-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-09-17 EP claimed
WO-2007110782-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-10-04 WO claimed
EP-2718281-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2014-04-16 EP disclosed
WO-2012168349-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2012-12-13 WO disclosed
EP-2177511-A2 Process for preparing 3,6-disubstituted azabicyclo derivatives Ranbaxy Laboratories Limited (IN) 2010-04-21 EP disclosed
US-7488748-B2 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-02-10 US disclosed
EP-1968980-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-09-17 EP disclosed
EP-1572648-B1 3,6-DISUBSTITUTED AZABICYCLO (3.1.0)-HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LAB LTD (IN) 2008-07-09 EP disclosed
EP-1888525-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-02-20 EP disclosed
WO-2007110782-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-10-04 WO disclosed
US-7232835-B2 3,6-Disubstituted azabicyclo derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-06-19 US disclosed
WO-2006117754-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed
US-20060247225-A1 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-11-02 US disclosed
US-20060217432-A1 3,6-Disubstituted azabicyclo [3.1.0] hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-09-28 US disclosed
EP-1590325-A1 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2005-11-02 EP disclosed
EP-1572648-A1 3,6-DISUBSTITUTED AZABICYCLO (3.1.0)-HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2005-09-14 EP disclosed
WO-2004067510-A1 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-08-12 WO disclosed
WO-2004052857-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-06-24 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 (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-20060217432-A1 3,6-Disubstituted azabicyclo [3.1.0] hexane derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 KEAP1 1479/4885NFE2L2 3687/4885CHRM3 1/4885
US-20060247225-A1 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 KEAP1 1389/4885NFE2L2 3502/4885CHRM3 1/4885

“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.