SCHEMBL4076900

SCHEMBL4076900

COc1ccccc1C(O)(C(=O)O)C1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.58
NFE2L2 Q16236 1/20 0.58
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CHRM3 P20309 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRM2 P08172 2/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL5208399 0.79 KMT2A (0.42) KEAP1NFE2L2MEN1KMT2AALDH1A1
SCHEMBL6593469 0.77 KEAP1 (0.63) KEAP1NFE2L2MEN1KMT2AALDH1A1
SCHEMBL5701311 0.76 KEAP1 (0.61) KEAP1NFE2L2ALDH1A1CHRM3CHRM2
SCHEMBL418664 0.74 KEAP1 (1.00) KEAP1NFE2L2ALDH1A1CHRM3CHRM2
SCHEMBL415801 0.74 KEAP1 (1.00) KEAP1NFE2L2ALDH1A1CHRM3CHRM2
SCHEMBL2062949 0.74 KEAP1 (1.00) KEAP1NFE2L2ALDH1A1CHRM3CHRM2
SCHEMBL28788402 0.73 SLC6A3 (0.41) ALDH1A1SMN1; SMN2TSHRCYP1A2
SCHEMBL4076899 0.73 KEAP1 (0.66) KEAP1NFE2L2MEN1KMT2AALDH1A1
SCHEMBL420634 0.73 KMT2A (0.51) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL6404528 0.73 KMT2A (0.51) MEN1KMT2AALDH1A1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488748-B2 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-02-10 US disclosed
US-20060247225-A1 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-11-02 US disclosed
EP-1590325-A1 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2005-11-02 EP disclosed
WO-2004067510-A1 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-08-12 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-20060247225-A1 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 KEAP1 1389/4885NFE2L2 3502/4885MEN1 2211/4885

“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.