SCHEMBL4632283

SCHEMBL4632283

Cc1ccc(C(O)(C(=O)O)C2CCCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.72
NFE2L2 Q16236 1/20 0.72
CHRM3 P20309 10/20 0.48
CHRM2 P08172 7/20 0.48
CHRM1 P11229 6/20 0.48
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 2/20 0.43
KCNH2 Q12809 2/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
HRH1 P35367 1/20 0.43
HTR2B P41595 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL2763519 0.98 KEAP1 (0.70) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL5746892 0.85 KEAP1 (0.51) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL2763493 0.85 KEAP1 (0.70) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL418664 0.84 KEAP1 (1.00) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL2062949 0.84 KEAP1 (1.00) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL415801 0.84 KEAP1 (1.00) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL4190999 0.83 KEAP1 (0.72) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL3556429 0.83 KEAP1 (0.72) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL3909615 0.82 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL2764243 0.82 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797040-A1 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-06-20 EP claimed
WO-2006035303-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 WO claimed
EP-1546098-B1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LAB LTD (IN) 2008-05-28 EP disclosed
US-7265147-B2 3,6-disubstituted azabicyclo [3.1.0]hexane derivatives useful as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-09-04 US disclosed
EP-1546098-A4 3,6-DISUBSTITUTED AZABICYCLO ¬3.1.0|HEXANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LAB LTD (IN) 2006-08-23 EP disclosed
US-20060122253-A1 3,6-disubstituted azabicyclo [3.1.0]hexane derivatives useful as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-06-08 US disclosed
EP-1546098-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2005-06-29 EP disclosed
WO-2004014853-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-02-19 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 (1 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-20060122253-A1 3,6-disubstituted azabicyclo [3.1.0]hexane derivatives useful as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 KEAP1 1802/4885NFE2L2 3574/4885CHRM3 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.