SCHEMBL463172

SCHEMBL463172

CCOC(=O)C1CCC(c2nnc(C(C)C)o2)CN1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ENPP2 Q13822 1/20 0.33
LIPE Q05469 2/20 0.32
DPP4 P27487 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GUCY1B2 O75343 2/20 0.31
GUCY1A2 P33402 2/20 0.31
GUCY1A1 Q02108 2/20 0.31
GUCY1B1 Q02153 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
SMYD3 Q9H7B4 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.30
GAA P10253 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
SCHEMBL407391 1.00 CTSK (0.34) CTSKKDM4ELMNAHTTSMN1; SMN2
SCHEMBL439064 0.83 DPP4 (0.33) KDM4ELMNAHTTSMN1; SMN2ENPP2
SCHEMBL441391 0.81 ENPP2 (0.31) ENPP2DPP4MEN1KMT2A
SCHEMBL408945 0.77 LIPE (0.33) CTSKKDM4ELMNAHTTSMN1; SMN2
SCHEMBL463714 0.77 LIPE (0.33) CTSKKDM4ELMNAHTTSMN1; SMN2
SCHEMBL408912 0.77 LIPE (0.33) CTSKKDM4ELMNAHTTSMN1; SMN2
SCHEMBL406761 0.74 PKM (0.40) DPP4MEN1KMT2A
SCHEMBL16797579 0.72 CYP2C19 (0.38) KDM4ELMNAHTTSMN1; SMN2ENPP2
SCHEMBL12940206 0.69 ALDH1A1 (0.34) KDM4EENPP2ALDH1A1L3MBTL1GAA
SCHEMBL407345 0.69 PKM (0.37) CTSKKDM4ESMN1; SMN2ENPP2DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT CTSK 3044/4885KDM4E 2452/4885LMNA 4016/4885

“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.