SCHEMBL2764040

SCHEMBL2764040

O=C(O)C(O)(c1ccccc1)C1CC1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.85
NFE2L2 Q16236 1/20 0.85
CHRM3 P20309 11/20 0.50
CHRM2 P08172 5/20 0.50
CHRM1 P11229 4/20 0.50
ALDH1A1 P00352 3/20 0.47
HRH1 P35367 2/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 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
CYP2D6 P10635 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
SCN1A P35498 1/20 0.44
KMT2A Q03164 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44

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
SCHEMBL6590164 0.92 KEAP1 (0.93) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL415801 0.92 KEAP1 (1.00) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL418664 0.92 KEAP1 (1.00) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL2062949 0.92 KEAP1 (1.00) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL2763565 0.92 KEAP1 (0.93) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL3913217 0.92 KEAP1 (0.93) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL3909615 0.90 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
Hydrochloric Acid SCHEMBL7269393 0.90 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL198082 0.90 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL2764243 0.90 KEAP1 (0.96) 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1546099-B1 3,6-DISUBSTITUTED AZABICYCLO 3.1.0 HEXANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LAB LTD (IN) 2008-12-31 EP disclosed
US-7399779-B2 3,6-disubstituted azabicyclo [3.1.0] hexane derivatives useful as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-07-15 US 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
US-7232835-B2 3,6-Disubstituted azabicyclo derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-06-19 US disclosed
US-20070004791-A1 3,6-disubstituted azabicyclo {3.1.0} hexane derivatives useful as muscarnic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-01-04 US 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-1546099-A4 3,6-DISUBSTITUTED AZABICYCLO 3.1.0 HEXANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LAB LTD (IN) 2006-08-02 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
CN-1668585-A 3,6-disubstituted azabicyclo [3.1.0]hexane derivatives useful as muscarinic receptor antagonists RANBAXY LAB LTD (IN) 2005-09-14 CN disclosed
EP-1546099-A2 3,6-DISUBSTITUTED AZABICYCLO 3.1.0 HEXANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2005-06-29 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
EP-0823423-B1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-06-16 EP disclosed
WO-2004004629-A2 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-01-15 WO disclosed
CN-1188471-A 1,4-disubstituted piepridine derivatives BANYU PHARMA CO LTD (JP) 1998-07-22 CN disclosed
US-5750540-A SIDE EFFECT REDUCTION BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
EP-0823423-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP 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 (3 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-20070004791-A1 3,6-disubstituted azabicyclo {3.1.0} hexane derivatives useful as muscarnic receptor antagonists CHRM3, CHRM5, CHRM2 KEAP1 3208/4885NFE2L2 4321/4885CHRM3 1/4885
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.