SCHEMBL5038798

SCHEMBL5038798

CC[C@H](NCCCC(=O)OC(C)(C)C)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
CTSK P43235 5/20 0.35
CTSS P25774 2/20 0.35
CAPN1 P07384 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
CYP2D6 P10635 1/20 0.31
CA7 P43166 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL562999 0.85 TSHR (0.47) EPHX2CA2CA7TSHR
SCHEMBL4941280 0.85 TSHR (0.47) EPHX2CA2CA7TSHR
SCHEMBL563000 0.85 TSHR (0.47) EPHX2CA2CA7TSHR
SCHEMBL5037810 0.83 CYP1A2 (0.49) GAAKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL4940078 0.83 CYP1A2 (0.49) GAAKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL4944206 0.83 CYP1A2 (0.49) GAAKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL27777706 0.82 EPHX2 (0.39) EPHX2CTSKCTSSCAPN1MEN1
SCHEMBL5038748 0.81 CA1 (0.35) MEN1KMT2ACA1CA2CYP1A2
SCHEMBL5037132 0.81 LMNA (0.49) EPHX2GAAHTT
SCHEMBL27756899 0.81 KDM4E (0.40) EPHX2CTSKCAPN1MEN1GAA

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 3 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

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 EPHX2 2178/4885CTSK 3576/4885CTSS 2908/4885

“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.