SCHEMBL4187396

SCHEMBL4187396

O=C(O)C(O)(c1ccccc1C1CCCC1)C1C2CCC1NC2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
RBP4 P02753 7/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.34
HTR2C P28335 2/20 0.33
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 1/20 0.32
GRIK1 P39086 1/20 0.31
GRIA2 P42262 1/20 0.31
NAAA Q02083 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL4176967 0.71 RBP4 (0.35) KEAP1NFE2L2RBP4
SCHEMBL1222344 0.69 RBP4 (0.44) KEAP1NFE2L2RBP4PTGDR2HTR2C
SCHEMBL4189381 0.69 KEAP1 (0.51) KEAP1NFE2L2CYP2D6SLC6A3KCNH2
SCHEMBL4176966 0.69 GRIK1 (0.32) GRIK1
SCHEMBL4967978 0.68 ALDH1A1 (0.46) KEAP1NFE2L2RBP4CYP2D6
SCHEMBL2596487 0.66 KEAP1 (0.50) KEAP1NFE2L2RBP4KCNH2
SCHEMBL4991804 0.64 CYP2C9 (0.37) CYP2D6
SCHEMBL4991788 0.64 KCNN4 (0.33)
SCHEMBL4985946 0.64 CHRM3 (0.52) KEAP1NFE2L2CYP2D6CYP2C19SLC6A2
SCHEMBL4183546 0.64 CHRM3 (0.52) KEAP1NFE2L2CYP2D6CYP2C19SLC6A2

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-20090137623-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-28 US claimed
US-20090137623-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-28 US disclosed
EP-1968980-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-09-17 EP disclosed
WO-2007110782-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-10-04 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-20090137623-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM5 KEAP1 2397/4885NFE2L2 1977/4885RBP4 1942/4885

“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.