SCHEMBL408399

SCHEMBL408399

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.46
KCNH2 Q12809 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 5/20 0.36
LMNA P02545 5/20 0.36
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MEN1 O00255 3/20 0.36
TP53 P04637 2/20 0.36
ALOX15 P16050 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
CYP2C19 P33261 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 2/20 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
SCHEMBL438307 1.00 CCR5 (0.46) CCR5KCNH2L3MBTL1HTTLMNA
SCHEMBL439099 0.85 CCR5 (0.44) CCR5KCNH2L3MBTL1HTTLMNA
SCHEMBL406928 0.85 CCR5 (0.44) CCR5KCNH2L3MBTL1HTTLMNA
SCHEMBL408745 0.81 HTT (0.37) L3MBTL1HTTLMNAKMT2AMEN1
SCHEMBL441266 0.81 HTT (0.37) L3MBTL1HTTLMNAKMT2AMEN1
SCHEMBL437505 0.80 PKM (0.39) CCR5KCNH2L3MBTL1HTTLMNA
SCHEMBL408238 0.80 PKM (0.39) CCR5KCNH2L3MBTL1HTTLMNA
SCHEMBL408394 0.79 NPC1 (0.42) LMNAKMT2AKDM4EMEN1MAPT
SCHEMBL439761 0.79 NPC1 (0.42) LMNAKMT2AKDM4EMEN1MAPT
SCHEMBL14305100 0.79 L3MBTL1 (0.43) CCR5KCNH2L3MBTL1HTTLMNA

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 CCR5 4283/4885KCNH2 3797/4885L3MBTL1 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.