SCHEMBL408244

SCHEMBL408244

COC(=O)[C@H]1CC[C@H](c2nnc(CCl)o2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADCY1 Q08828 2/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
ADORA1 P30542 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.33
EPHX2 P34913 2/20 0.33
TSHR P16473 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL443006 1.00 PKM (0.46) PKML3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL408407 0.85 PKM (0.41) PKMKMT2AMEN1SMN1; SMN2ADCY1
SCHEMBL442998 0.85 PKM (0.41) PKMKMT2AMEN1SMN1; SMN2ADCY1
SCHEMBL439099 0.84 CCR5 (0.44) PKML3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL406928 0.84 CCR5 (0.44) PKML3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL438512 0.83 PKM (0.43) PKML3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL408252 0.83 PKM (0.43) PKML3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL408745 0.82 HTT (0.37) PKML3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL441266 0.82 HTT (0.37) PKML3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL439101 0.81 PKM (0.47) PKML3MBTL1ALDH1A1KMT2AMEN1

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 PKM 1657/4885L3MBTL1 1197/4885ALDH1A1 272/4885

“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.