SCHEMBL4146294

SCHEMBL4146294

C=CCn1ncc2c1CN(C(=O)OC(C)(C)C)CC2=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.40
BUB1 O43683 1/20 0.35
PIK3CD O00329 5/20 0.34
NR1H2 P55055 1/20 0.34
F13A1 P00488 2/20 0.34
TGM2 P21980 2/20 0.34
TGM1 P22735 2/20 0.34
KRAS P01116 1/20 0.33
HDAC1 Q13547 1/20 0.32
PREP P48147 1/20 0.32
DTYMK P23919 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL20557865 0.84 ELANE (0.39) ELANEBUB1PIK3CDNR1H2PREP
SCHEMBL5187989 0.79 PLK1 (0.43) ELANEBUB1NR1H2KDM4EMAPT
SCHEMBL4143859 0.79 LMNA (0.35) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL20557386 0.78 ELANE (0.35) ELANEBUB1PIK3CDNR1H2PREP
SCHEMBL4152639 0.78 KDM1A (0.43) PREPALDH1A1MAPT
SCHEMBL4146994 0.76 NPC1 (0.36) ELANEPIK3CDDTYMKALDH1A1GAA
SCHEMBL4138894 0.74 POLB (0.49) MAPTTHRBHPGD
SCHEMBL13799229 0.71 HDAC1 (0.40) NR1H2HDAC1DTYMKKDM4EALDH1A1
SCHEMBL5187314 0.70 ELANE (0.36) ELANEPIK3CDNR1H2F13A1TGM2
SCHEMBL5187312 0.70 ELANE (0.36) ELANEPIK3CDNR1H2F13A1TGM2

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
US-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS NOVEXEL (FR) 2009-01-15 US disclosed
US-7439253-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors NOVEXEL (FR) 2008-10-21 US disclosed
US-7288549-B2 Heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents AVENTIS PHARMA S.A. (FR) 2007-10-30 US disclosed
US-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents ENTASIS THERAPEUTICS LIMITED (GB) 2005-11-03 US disclosed
US-20040157826-A1 Novel heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors AVENTIS PHARMA S.A. (FR) 2004-08-12 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 (3 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-20040157826-A1 Novel heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors GAA, ALPI, GANAB ELANE 236/4885BUB1 2835/4885PIK3CD 1529/4885
US-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents FDPS, MRPL21, DHPS ELANE 606/4885BUB1 3171/4885PIK3CD 3564/4885
US-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS GAA, GANAB, ALPI ELANE 211/4885BUB1 2968/4885PIK3CD 1462/4885

“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.