SCHEMBL462944

SCHEMBL462944

O=C(c1ccccc1)C1CCN(Cl)CC1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.60
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
HTR2A P28223 1/20 0.58
CPB1 P15086 1/20 0.58
HSD11B1 P28845 1/20 0.56
SLC18A3 Q16572 2/20 0.55
KCNH2 Q12809 1/20 0.54
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL463641 0.89 MGLL (0.54) MGLLKMT2AMEN1HTR2ACPB1
SCHEMBL4500340 0.86 MGLL (0.57) MGLLKMT2AMEN1HTR2ACPB1
SCHEMBL13657578 0.84 MGLL (0.71) MGLLKMT2AMEN1HSD11B1
SCHEMBL18428493 0.82 HTR2A (0.56) MGLLKMT2AMEN1HTR2ACPB1
SCHEMBL324342 0.82 HTR2A (0.56) MGLLKMT2AMEN1HTR2ACPB1
SCHEMBL2552838 0.81 HTR2A (0.62) MGLLKMT2AMEN1HTR2ACPB1
SCHEMBL11398586 0.81 HTR2A (0.58) MGLLKMT2AMEN1HTR2ACPB1
SCHEMBL2556107 0.81 CPB1 (0.67) MGLLKMT2AMEN1HTR2ACPB1
SCHEMBL1720183 0.80 MGLL (0.82) MGLLKMT2AMEN1CPB1HSD11B1
SCHEMBL4500344 0.80 HTR2A (0.56) MGLLKMT2AMEN1HTR2ACPB1

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-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT MGLL 387/4885KMT2A 667/4885MEN1 4411/4885

“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.