SCHEMBL5805879

SCHEMBL5805879

CC(C)(C)OC(=O)N1CCC(c2ccc(N)c(C#Cc3ccccc3NS(C)(=O)=O)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
GPR119 Q8TDV5 5/20 0.42
TGFBR1 P36897 4/20 0.42
STS P08842 3/20 0.41
EGFR P00533 2/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
PTK2 Q05397 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
ALOX12 P18054 1/20 0.40
PDE4B Q07343 1/20 0.39

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
SCHEMBL5806713 0.83 NAMPT (0.48) NAMPTGPR119STSPDE4B
SCHEMBL5808102 0.83 PDE4B (0.51) NAMPTGPR119TGFBR1STSJAK2
SCHEMBL2112595 0.77 GPR119 (0.54) NAMPTGPR119STSPDE4B
SCHEMBL4675927 0.77 GPR119 (0.50) NAMPTGPR119TGFBR1STS
SCHEMBL15157112 0.75 NAMPT (0.54) NAMPTGPR119DDB1CRBNPDE4B
SCHEMBL30778326 0.75 NAMPT (0.54) NAMPTGPR119DDB1CRBNPDE4B
SCHEMBL16835137 0.75 ALOX12 (0.59) NAMPTGPR119TGFBR1STSJAK2
SCHEMBL5811046 0.75 PDE4B (0.50) NAMPTSTSJAK2JAK3PTK2
SCHEMBL23540902 0.75 NAMPT (0.52) NAMPTGPR119STSDDB1CRBN
SCHEMBL30027132 0.75 NAMPT (0.52) NAMPTGPR119STSDDB1CRBN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006113458-A1 HETEROCYCLIC INHIBITORS OF PROTEIN ARGININE METHYL TRANSFERASES BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-26 WO disclosed
US-20060235037-A1 Heterocyclic inhibitors of protein arginine methyl transferases BRISTOL-MYERS SQUIBB COMPANY 2006-10-19 US 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-20060235037-A1 Heterocyclic inhibitors of protein arginine methyl transferases PRMT1, PRMT3, PRMT8 NAMPT 404/4885GPR119 3682/4885TGFBR1 1715/4885

“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.