SCHEMBL4152639

SCHEMBL4152639

COc1ccc(Cn2ncc3c2CN(C(=O)OC(C)(C)C)CC3=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.43
NPBWR1 P48145 7/20 0.42
TP53 P04637 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PREP P48147 2/20 0.41
MCHR1 Q99705 1/20 0.40
ALDH1A1 P00352 1/20 0.40
P2RX3 P56373 1/20 0.39
CACNA1H O95180 1/20 0.39
CTSD P07339 1/20 0.38
CTSE P14091 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL4142495 0.82 KDM1A (0.38) KDM1ANPBWR1TP53MAPTLMNA
SCHEMBL4142491 0.82 KDM1A (0.38) KDM1ANPBWR1TP53MAPTLMNA
SCHEMBL30171196 0.80 MAPT (0.54) KDM1ANPBWR1TP53MAPTLMNA
SCHEMBL20557865 0.79 ELANE (0.39) PREP
SCHEMBL4146294 0.78 ELANE (0.40) MAPTPREPALDH1A1
SCHEMBL23881422 0.76 KDM1A (0.44) KDM1ATP53MAPTLMNASMN1; SMN2
SCHEMBL19358333 0.76 KDM1A (0.44) KDM1ATP53MAPTLMNASMN1; SMN2
SCHEMBL6837344 0.75 NPBWR1 (0.53) NPBWR1MAPTMCHR1ALDH1A1
SCHEMBL5187989 0.75 PLK1 (0.43) MAPTSMN1; SMN2
SCHEMBL20557386 0.74 ELANE (0.35) SMN1; SMN2PREP

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 KDM1A 1633/4885NPBWR1 4200/4885TP53 4654/4885
US-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS GAA, GANAB, ALPI KDM1A 1962/4885NPBWR1 4240/4885TP53 4700/4885

“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.