SCHEMBL5653140

SCHEMBL5653140

COC(=O)C=CCCN[C]=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.44
NFE2L2 Q16236 2/20 0.44
KEAP1 Q14145 1/20 0.44
MAPT P10636 1/20 0.33
TTR P02766 1/20 0.32
APP P05067 1/20 0.32
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
GFPT1 Q06210 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TYR P14679 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
ALDH1A1 P00352 2/20 0.30
PTPN1 P18031 1/20 0.30
ALOX15 P16050 1/20 0.30
RECQL P46063 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
SCHEMBL5653137 1.00 HCAR2 (0.44) HCAR2NFE2L2KEAP1MAPTTTR
SCHEMBL5652124 0.82 NFE2L2 (0.50) HCAR2NFE2L2KEAP1MAPTTTR
SCHEMBL5652121 0.82 NFE2L2 (0.50) HCAR2NFE2L2KEAP1MAPTTTR
SCHEMBL5648858 0.78 TSHR (0.39)
SCHEMBL5648861 0.78 TSHR (0.39)
SCHEMBL5650731 0.76
SCHEMBL5650727 0.76
SCHEMBL27439377 0.75
SCHEMBL29626505 0.74 HCAR2 (0.57) HCAR2NFE2L2KEAP1MAPTTTR
SCHEMBL5653142 0.74 HCAR2 (0.46) HCAR2NFE2L2KEAP1MAPTTTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049620-A1 Cyclic tertiary amine compound SANKYO COMPANY, LIMITED (JP) 2007-03-01 US disclosed
EP-1632488-A1 CYCLIC TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2006-03-08 EP 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-20070049620-A1 Cyclic tertiary amine compound MYD88, IL5, BRD4 HCAR2 786/4885NFE2L2 1950/4885KEAP1 1650/4885

“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.