SCHEMBL4136367

SCHEMBL4136367

C=CCOc1ccc2c(c1)C(NOCc1ccccc1)CN[C@@H]2C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.42
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
MTNR1A P48039 2/20 0.37
FFAR1 O14842 1/20 0.37
KAT6A Q92794 2/20 0.36
GAA P10253 2/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
ALDH1A1 P00352 1/20 0.35
BTK Q06187 1/20 0.35
MGLL Q99685 1/20 0.33

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
SCHEMBL5256420 1.00 BCHE (0.42) BCHEKDM4ENPC1RAB9AMAPKAPK2
SCHEMBL5186922 0.89 BCHE (0.38) BCHEKDM4ENPC1RAB9AMTNR1A
SCHEMBL5255876 0.83 MEN1 (0.37) BCHENPC1RAB9AGAAALDH1A1
SCHEMBL5330841 0.81 TSHR (0.40) NPC1RAB9AMAPKAPK2GAAALDH1A1
SCHEMBL5255838 0.80 NPC1 (0.40) BCHEKDM4ENPC1RAB9AMTNR1A
SCHEMBL4142735 0.80 NPC1 (0.40) BCHEKDM4ENPC1RAB9AMTNR1A
SCHEMBL5257111 0.79 TSHR (0.38) KDM4EGAAALDH1A1
SCHEMBL5253702 0.78 HTR1A (0.38) NPC1RAB9AALDH1A1
SCHEMBL4139603 0.74 MEN1 (0.39) NPC1RAB9AALDH1A1
SCHEMBL5186348 0.74 POLB (0.38) BCHEKDM4ENPC1RAB9AFFAR1

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
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
EP-1569935-B1 HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS NOVEXEL (FR) 2008-08-20 EP 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 (2 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 BCHE 72/4885KDM4E 2988/4885NPC1 1736/4885
US-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS GAA, GANAB, ALPI BCHE 57/4885KDM4E 2845/4885NPC1 2035/4885

“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.