SCHEMBL2763036

SCHEMBL2763036

COc1ccc(C(O)(C(=O)O)C2CCCCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.64
NFE2L2 Q16236 1/20 0.64
CYP19A1 P11511 1/20 0.53
CHRM3 P20309 5/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MDM2 Q00987 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX2 P34913 2/20 0.43
EPHX1 P07099 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
NPY2R P49146 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
SCHEMBL4076899 0.98 KEAP1 (0.66) KEAP1NFE2L2CYP19A1CHRM3MEN1
SCHEMBL2762977 0.84 KEAP1 (0.71) KEAP1NFE2L2CHRM3POLBALDH1A1
SCHEMBL2763493 0.83 KEAP1 (0.70) KEAP1NFE2L2CHRM3POLBRAB9A
SCHEMBL2763519 0.83 KEAP1 (0.70) KEAP1NFE2L2CHRM3POLBNPC1
SCHEMBL4081891 0.81 KEAP1 (0.63) KEAP1NFE2L2CHRM3MEN1KMT2A
SCHEMBL4632283 0.81 KEAP1 (0.72) KEAP1NFE2L2CHRM3POLBNPC1
SCHEMBL3909615 0.80 KEAP1 (0.96) KEAP1NFE2L2CHRM3POLBALDH1A1
SCHEMBL198082 0.80 KEAP1 (0.96) KEAP1NFE2L2CHRM3POLBALDH1A1
SCHEMBL2764243 0.80 KEAP1 (0.96) KEAP1NFE2L2CHRM3POLBALDH1A1
SCHEMBL1235433 0.80 KEAP1 (0.96) KEAP1NFE2L2CHRM3POLBALDH1A1

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 6 patents. 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
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-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-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-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 (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-20060217432-A1 3,6-Disubstituted azabicyclo [3.1.0] hexane derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 KEAP1 1479/4885NFE2L2 3687/4885CYP19A1 1654/4885

“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.