SCHEMBL406928

SCHEMBL406928

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.44
KCNH2 Q12809 1/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
LMNA P02545 3/20 0.34
MEN1 O00255 3/20 0.34
ALOX15 P16050 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 2/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ADORA1 P30542 1/20 0.33
ADCY1 Q08828 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL439099 1.00 CCR5 (0.44) CCR5KCNH2PKML3MBTL1ALDH1A1
SCHEMBL438307 0.85 CCR5 (0.46) CCR5KCNH2PKML3MBTL1ALDH1A1
SCHEMBL408399 0.85 CCR5 (0.46) CCR5KCNH2PKML3MBTL1ALDH1A1
SCHEMBL443006 0.84 PKM (0.46) PKML3MBTL1ALDH1A1NPSR1KMT2A
SCHEMBL408244 0.84 PKM (0.46) PKML3MBTL1ALDH1A1NPSR1KMT2A
SCHEMBL442998 0.83 PKM (0.41) PKMNPSR1KMT2ASMN1; SMN2MEN1
SCHEMBL408407 0.83 PKM (0.41) PKMNPSR1KMT2ASMN1; SMN2MEN1
SCHEMBL438512 0.81 PKM (0.43) PKML3MBTL1ALDH1A1NPSR1KMT2A
SCHEMBL408252 0.81 PKM (0.43) PKML3MBTL1ALDH1A1NPSR1KMT2A
SCHEMBL439101 0.79 PKM (0.47) PKML3MBTL1ALDH1A1NPSR1KMT2A

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 3797/4885PKM 1657/4885

“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.