SCHEMBL463714

SCHEMBL463714

CCOC(=O)C1CCC(c2nnc(C(C)C)o2)CN1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.33
ENPP2 Q13822 1/20 0.32
ATM Q13315 1/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CTSK P43235 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL408945 1.00 LIPE (0.33) LIPEENPP2ATMKDM4ECYP2C19
SCHEMBL408912 1.00 LIPE (0.33) LIPEENPP2ATMKDM4ECYP2C19
SCHEMBL437515 0.84 GRIA1 (0.34) ENPP2ATM
SCHEMBL407391 0.77 CTSK (0.34) LIPEENPP2KDM4ECTSKLMNA
SCHEMBL463172 0.77 CTSK (0.34) LIPEENPP2KDM4ECTSKLMNA
SCHEMBL16797579 0.74 CYP2C19 (0.38) ENPP2ATMKDM4ECYP2C19MAPK1
SCHEMBL408038 0.74 PKM (0.35) ATM
SCHEMBL407852 0.74 PKM (0.35) ATM
SCHEMBL12940206 0.71 ALDH1A1 (0.34) ENPP2ATMKDM4ECYP2C19ALDH1A1
SCHEMBL407345 0.70 PKM (0.37) ENPP2KDM4ECTSKSMN1; SMN2MEN1

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 LIPE 216/4885ENPP2 709/4885ATM 3560/4885

“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.