SCHEMBL4889259

SCHEMBL4889259

C#CC(O)(c1ccccc1)C1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
CHRM2 P08172 10/20 0.47
CHRM3 P20309 10/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
CHRM1 P11229 1/20 0.42
HRH1 P35367 1/20 0.42
GRIN1 Q05586 1/20 0.42
KCNH2 Q12809 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 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
SCHEMBL9193099 0.98 MAPT (0.52) KEAP1NFE2L2MAPTNPSR1SMN1; SMN2
SCHEMBL6589615 0.96 KEAP1 (0.47) KEAP1NFE2L2MAPTNPSR1SMN1; SMN2
SCHEMBL609929 0.92 MEN1 (0.43) KEAP1NFE2L2MAPTNPSR1SMN1; SMN2
SCHEMBL2062914 0.81 KEAP1 (0.56) KEAP1NFE2L2MAPTNPSR1SMN1; SMN2
SCHEMBL2062409 0.81 KEAP1 (0.56) KEAP1NFE2L2MAPTNPSR1SMN1; SMN2
SCHEMBL27821813 0.80 KEAP1 (0.54) KEAP1NFE2L2MAPTNPSR1SMN1; SMN2
SCHEMBL27700604 0.80 KEAP1 (0.54) KEAP1NFE2L2MAPTNPSR1SMN1; SMN2
SCHEMBL12531908 0.80 MAPT (0.52) KEAP1NFE2L2MAPTNPSR1SMN1; SMN2
SCHEMBL198459 0.80 MAPT (0.52) KEAP1NFE2L2MAPTNPSR1SMN1; SMN2
SCHEMBL552275 0.78 MEN1 (0.36) KEAP1NFE2L2MAPTNPSR1SMN1; SMN2

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
CN-116836104-A Blue light induced method for hydrogen trifluoromethyl of alkynyl compound 湖南大学 2023-10-03 CN disclosed
US-20080280883-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-11-13 US disclosed
EP-1794161-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-06-13 EP disclosed
WO-2006032994-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-03-30 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-20080280883-A1 Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 KEAP1 1713/4885NFE2L2 4205/4885MAPT 3314/4885

“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.