SCHEMBL5805967

SCHEMBL5805967

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ PDE4B Q07343 1/20 0.49
▸ DDB1 Q16531 1/20 0.46
▸ CRBN Q96SW2 1/20 0.46
▸ GPR119 Q8TDV5 6/20 0.46
▸ PTPN2 P17706 1/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ PTPN6 P29350 1/20 0.44
▸ DPP4 P27487 1/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ P2RY14 Q15391 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL30778326 0.89 NAMPT (0.54) NAMPTKDM4EMAPTTHRBPDE4B
SCHEMBL15157112 0.89 NAMPT (0.54) NAMPTKDM4EMAPTTHRBPDE4B
SCHEMBL25228900 0.88 NAMPT (0.51) NAMPTKDM4EMAPTTHRBPDE4B
SCHEMBL15174834 0.88 PDE4B (0.46) NAMPTKDM4EPDE4B
SCHEMBL12479918 0.86 NAMPT (0.52) NAMPTKDM4EMAPTTHRBPDE4B
SCHEMBL24793972 0.86 NAMPT (0.52) NAMPTKDM4EMAPTTHRBPDE4B
SCHEMBL25539754 0.86 PDE4B (0.53) NAMPTKDM4EMAPTTHRBPDE4B
SCHEMBL29976347 0.85 KDM4E (0.53) NAMPTKDM4EMAPTTHRBPDE4B
SCHEMBL15376723 0.85 KDM4E (0.53) NAMPTKDM4EMAPTTHRBPDE4B
SCHEMBL15862956 0.85 NAMPT (0.51) NAMPTKDM4EMAPTTHRBPDE4B

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 404/4885KDM4E 646/4885MAPT 150/4885

“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.

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