SCHEMBL5038748

SCHEMBL5038748

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
SOAT1 P35610 2/20 0.33
MEN1 O00255 1/20 0.33
FAAH O00519 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
NOD1 Q9Y239 1/20 0.33
CNR1 P21554 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KDM4E B2RXH2 2/20 0.31
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL14367747 0.89 PAOX (0.38) CA1CA2NOD1
SCHEMBL2704033 0.89 AKR1B1 (0.39) MEN1KMT2ATSHR
SCHEMBL10521386 0.89 AKR1B1 (0.39) MEN1KMT2ATSHR
SCHEMBL2704035 0.89 AKR1B1 (0.39) MEN1KMT2ATSHR
SCHEMBL563000 0.85 TSHR (0.47) CA2KDM4ETSHR
SCHEMBL4941280 0.85 TSHR (0.47) CA2KDM4ETSHR
SCHEMBL562999 0.85 TSHR (0.47) CA2KDM4ETSHR
SCHEMBL7342396 0.84 CA1 (0.44) CA1CA2NOD1
SCHEMBL14367745 0.84 CA1 (0.44) CA1CA2NOD1
SCHEMBL5042185 0.84 ALDH1A1 (0.46) CA1CA2

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 CA1 1020/4885CA2 941/4885SOAT1 2160/4885

“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.