SCHEMBL440519

SCHEMBL440519

O=C(O)C1CCC(c2nnc(COCC3CC3)o2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.35
PLAT P00750 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 3/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HTT P42858 1/20 0.32
MAPK1 P28482 1/20 0.32
CNR2 P34972 1/20 0.32
VCP P55072 1/20 0.31
SLC1A3 P43003 2/20 0.31
SLC1A2 P43004 2/20 0.31
SLC1A1 P43005 2/20 0.31
ANPEP P15144 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
SCHEMBL408238 0.82 PKM (0.39) PLATLMNAMAPTKMT2APOLB
SCHEMBL437505 0.82 PKM (0.39) PLATLMNAMAPTKMT2APOLB
SCHEMBL408745 0.77 HTT (0.37) PLGPLATLMNAMAPTKMT2A
SCHEMBL441266 0.77 HTT (0.37) PLGPLATLMNAMAPTKMT2A
SCHEMBL439761 0.76 NPC1 (0.42) PLGPLATLMNAMAPTKMT2A
SCHEMBL408394 0.76 NPC1 (0.42) PLGPLATLMNAMAPTKMT2A
SCHEMBL408783 0.75 PKM (0.40) MAPTKMT2APOLBMEN1PKM
SCHEMBL441093 0.75 PKM (0.40) MAPTKMT2APOLBMEN1PKM
SCHEMBL29988088 0.74 TNKS (0.50) LMNAMAPTPOLBL3MBTL1ALDH1A1
SCHEMBL438307 0.74 CCR5 (0.46) PLGPLATLMNAMAPTKMT2A

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 3 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
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 PLG 3964/4885PLAT 3608/4885LMNA 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.