SCHEMBL5723892

SCHEMBL5723892

O=C(N[C@@H]1CCN(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1)c1coc(N2CC(O)C2)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.38
DRD4 P21917 1/20 0.37
HSP90AA1 P07900 8/20 0.37
HSP90AB1 P08238 7/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
HSD11B1 P28845 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL5724309 1.00 ENPP2 (0.38) ENPP2DRD4HSP90AA1HSP90AB1MAPT
SCHEMBL5723836 0.91 ENPP2 (0.36) ENPP2DRD4HSP90AA1HSP90AB1DPP8
SCHEMBL5724450 0.91 ENPP2 (0.36) ENPP2DRD4HSP90AA1HSP90AB1DPP8
SCHEMBL5723871 0.90 ENPP2 (0.36) ENPP2DRD4HSP90AA1HSP90AB1MAPT
SCHEMBL5723917 0.90 ENPP2 (0.36) ENPP2DRD4HSP90AA1HSP90AB1MAPT
SCHEMBL5723970 0.85 USP30 (0.37) ENPP2DRD4HSP90AA1HSP90AB1HSD11B1
SCHEMBL5723743 0.85 USP30 (0.37) ENPP2DRD4HSP90AA1HSP90AB1HSD11B1
SCHEMBL5724146 0.84 ENPP2 (0.43) ENPP2DRD4HSP90AA1HSP90AB1DPP8
SCHEMBL5723786 0.84 ENPP2 (0.43) ENPP2DRD4HSP90AA1HSP90AB1DPP8
SCHEMBL27577435 0.82 DPP8 (0.40) MAPTKMT2ADPP8DPP9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1340757-B1 1-METHYLCARBAPENEM DERIVATIVES SANKYO CO (JP) 2006-10-11 EP disclosed
US-7001897-B2 1-methylcarbapenem derivatives SANKYO COMPANY, LIMITED (JP) 2006-02-21 US disclosed
US-20040014962-A1 1-Methylcarbapenem derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-22 US disclosed
EP-1340757-A1 1-METHYLCARBAPENEM DERIVATIVES Sankyo Company, Limited (JP) 2003-09-03 EP 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-20040014962-A1 1-Methylcarbapenem derivatives CD14, CPT1A, ACMSD ENPP2 2178/4885DRD4 931/4885HSP90AA1 343/4885

“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.