SCHEMBL408783

SCHEMBL408783

COC(=O)Cc1nnc([C@H]2CC[C@H](C(=O)O)CC2)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ADCY1 Q08828 3/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CCR5 P51681 1/20 0.33
KCNH2 Q12809 1/20 0.33
HTT P42858 1/20 0.32
EPHX2 P34913 2/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
TNKS O95271 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
SCHEMBL441093 1.00 PKM (0.40) PKMALDH1A1L3MBTL1ADCY1MAPT
SCHEMBL408238 0.83 PKM (0.39) PKMALDH1A1L3MBTL1ADCY1MAPT
SCHEMBL437505 0.83 PKM (0.39) PKMALDH1A1L3MBTL1ADCY1MAPT
SCHEMBL408745 0.79 HTT (0.37) PKMALDH1A1L3MBTL1ADCY1MAPT
SCHEMBL441266 0.79 HTT (0.37) PKMALDH1A1L3MBTL1ADCY1MAPT
SCHEMBL438307 0.78 CCR5 (0.46) PKMALDH1A1L3MBTL1ADCY1MAPT
SCHEMBL408399 0.78 CCR5 (0.46) PKMALDH1A1L3MBTL1ADCY1MAPT
SCHEMBL408394 0.77 NPC1 (0.42) ADCY1MAPTKMT2AEPHX2TSHR
SCHEMBL439761 0.77 NPC1 (0.42) ADCY1MAPTKMT2AEPHX2TSHR
SCHEMBL21678960 0.76 HCRTR2 (0.39) ALDH1A1

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 1657/4885ALDH1A1 272/4885L3MBTL1 1197/4885

“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.