SCHEMBL5038849

SCHEMBL5038849

CCCOC(=O)CCCN[C@@H](CC)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.42
TOP2A P11388 1/20 0.40
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
EPHX2 P34913 3/20 0.38
ALDH1A1 P00352 4/20 0.36
DNM1 Q05193 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NOD1 Q9Y239 1/20 0.36
HTR2C P28335 1/20 0.36
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 2/20 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
SCHEMBL5037088 0.93 DGKA (0.45) DGKAPRSS1PRSS2PRSS3EPHX2
SCHEMBL5038851 0.90 PRSS1 (0.51) DGKAPRSS1PRSS2PRSS3EPHX2
SCHEMBL4940078 0.88 CYP1A2 (0.49) TOP2AALDH1A1CYP3A4L3MBTL1KDM4E
SCHEMBL5037810 0.88 CYP1A2 (0.49) TOP2AALDH1A1CYP3A4L3MBTL1KDM4E
SCHEMBL4944206 0.88 CYP1A2 (0.49) TOP2AALDH1A1CYP3A4L3MBTL1KDM4E
SCHEMBL562999 0.84 TSHR (0.47) EPHX2ALDH1A1LMNATSHRL3MBTL1
SCHEMBL4941280 0.84 TSHR (0.47) EPHX2ALDH1A1LMNATSHRL3MBTL1
SCHEMBL563000 0.84 TSHR (0.47) EPHX2ALDH1A1LMNATSHRL3MBTL1
SCHEMBL5037886 0.84 MAPT (0.40) EPHX2ALDH1A1LMNACYP3A4TSHR
SCHEMBL5037770 0.83 CYP3A4 (0.49) ALDH1A1LMNACYP3A4TSHRATM

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-1339669-B1 N-ALKYLATED GABA COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS UCB PHARMA SA (BE) 2008-06-04 EP claimed
US-7112612-B2 N-alkylated GABA compounds, processes for their preparation and their use as medicaments UCB S.A. (BE) 2006-09-26 US claimed
US-20040058991-A1 N-alkylated gaba compounds, processes for their preparation and their use as medicaments UCB S.A. (BE) 2004-03-25 US claimed
EP-1339669-B1 N-ALKYLATED GABA COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS UCB PHARMA SA (BE) 2008-06-04 EP disclosed
US-7112612-B2 N-alkylated GABA compounds, processes for their preparation and their use as medicaments UCB S.A. (BE) 2006-09-26 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 (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-20040058991-A1 N-alkylated gaba compounds, processes for their preparation and their use as medicaments GABBR1, GABRB1, GABRB2 DGKA 1229/4885TOP2A 3341/4885PRSS1 4716/4885

“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.