SCHEMBL3429052

SCHEMBL3429052

CN1C(=O)CN(C(=O)OC(C)(C)C)Cc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
NAMPT P43490 4/20 0.47
BCHE P06276 1/20 0.46
DDB1 Q16531 2/20 0.44
CRBN Q96SW2 2/20 0.44
ESR2 Q92731 1/20 0.43
NR1H2 P55055 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
DPP4 P27487 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
DTYMK P23919 1/20 0.40
KDM1A O60341 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
SCHEMBL30235588 0.84 MAPK1 (0.49) MAPK1NAMPTBCHEDDB1CRBN
SCHEMBL18325444 0.84 MAPK1 (0.49) MAPK1NAMPTBCHEDDB1CRBN
SCHEMBL29676965 0.82 MAPK1 (0.64) MAPK1NAMPTDDB1CRBNESR2
SCHEMBL5183098 0.82 MAPK1 (0.64) MAPK1NAMPTDDB1CRBNESR2
SCHEMBL21257672 0.81 HRH1 (0.46) MAPK1NAMPTDDB1CRBNHDAC1
SCHEMBL84344 0.81 USP2 (0.46) MAPK1DDB1CRBNESR2NR1H2
SCHEMBL3760649 0.80 DPP4 (0.46) BCHEDPP4
SCHEMBL21505062 0.80 MAPK1 (0.59) MAPK1NAMPTBCHEESR2NR1H2
SCHEMBL31033144 0.79 MAPK1 (0.45) MAPK1NAMPTHDAC1HDAC6DPP4
SCHEMBL3427103 0.78 DPP4 (0.51) MAPK1NAMPTHDAC1HDAC6DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250157-B1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LTD (IN) 2014-11-05 EP disclosed
US-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 US disclosed
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC PHARMA LIMITED (IN) 2010-12-09 US disclosed
EP-2250157-A1 NOVEL HETEROCYCLIC COMPOUNDS Panacea Biotec Limited (IN) 2010-11-17 EP disclosed
WO-2009093269-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LIMITED (IN) 2009-07-30 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-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS DPP4, DPP3, DPP8 MAPK1 2715/4885NAMPT 425/4885BCHE 923/4885

“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.