SCHEMBL5820341

SCHEMBL5820341

CC(C)(C)OC(=O)N1CCC(c2ccc3[nH]c(-c4ccccc4NS(C)(=O)=O)cc3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.44
JAK2 O60674 3/20 0.44
JAK3 P52333 3/20 0.44
PTK2 Q05397 3/20 0.44
GPR119 Q8TDV5 3/20 0.43
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
VCP P55072 2/20 0.41
PDE4B Q07343 1/20 0.41
ALK Q9UM73 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
TGFBR1 P36897 3/20 0.41
HPGDS O60760 1/20 0.40
STS P08842 1/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL5950564 0.84 NAMPT (0.46) NAMPTJAK2JAK3PTK2GPR119
SCHEMBL5821272 0.84 HRH3 (0.40) TLR9TLR8TLR7VCPEGFR
SCHEMBL5822415 0.83 PDE4B (0.53) NAMPTJAK2JAK3PTK2TLR9
SCHEMBL4675927 0.77 GPR119 (0.50) NAMPTGPR119TGFBR1STS
SCHEMBL5821305 0.76 PDE4B (0.53) JAK2JAK3PTK2TLR8TLR7
SCHEMBL15642665 0.75 P2RY14 (0.49) NAMPTGPR119TLR9TLR8TLR7
SCHEMBL5805879 0.74 NAMPT (0.46) NAMPTJAK2JAK3PTK2GPR119
SCHEMBL16835137 0.74 ALOX12 (0.59) NAMPTJAK2JAK3PTK2GPR119
SCHEMBL28847619 0.73 GPR119 (0.48) NAMPTJAK2GPR119TLR9TLR8
SCHEMBL18379198 0.73 GPR119 (0.62) NAMPTGPR119DDB1CRBNTGFBR1

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 404/4885JAK2 1040/4885JAK3 1125/4885

“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.