SCHEMBL4944206

SCHEMBL4944206

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
TOP2A P11388 1/20 0.38
NR1I2 O75469 1/20 0.37
PGR P06401 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
PTGS2 P35354 1/20 0.37
PDE4D Q08499 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL5037810 1.00 CYP1A2 (0.49) CYP1A2KMT2APOLBL3MBTL1GAA
SCHEMBL4940078 1.00 CYP1A2 (0.49) CYP1A2KMT2APOLBL3MBTL1GAA
SCHEMBL6018656 0.92 CYP3A4 (0.51) CYP1A2KMT2APOLBL3MBTL1GAA
SCHEMBL13788520 0.89 CYP1A2 (0.46) CYP1A2KMT2APOLBL3MBTL1GAA
SCHEMBL5038849 0.88 DGKA (0.42) CYP1A2L3MBTL1CYP3A4TOP2AALDH1A1
SCHEMBL563000 0.87 TSHR (0.47) L3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4941280 0.87 TSHR (0.47) L3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL562999 0.87 TSHR (0.47) L3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5037088 0.86 DGKA (0.45) CYP3A4ALDH1A1
SCHEMBL5037886 0.86 MAPT (0.40) CYP1A2KMT2APOLBGAACYP3A4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338621-B2 Process for the preparation of 2-oxo-1-pyrrolidine derivatives UCB S.A. (BE) 2012-12-25 US disclosed
US-8338621-B2 Process for the preparation of 2-oxo-1-pyrrolidine derivatives UCB S.A. (BE) 2012-12-25 US disclosed
US-8338621-B2 Process for the preparation of 2-oxo-1-pyrrolidine derivatives UCB S.A. (BE) 2012-12-25 US disclosed
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-20080009638-A1 PROCESS FOR THE PREPARATION OF 2-OXO-1-PYRROLIDINE DERIVATIVES UCB S.A. (BE) 2008-01-10 US disclosed
US-20080009638-A1 PROCESS FOR THE PREPARATION OF 2-OXO-1-PYRROLIDINE DERIVATIVES UCB S.A. (BE) 2008-01-10 US disclosed
US-20080009638-A1 PROCESS FOR THE PREPARATION OF 2-OXO-1-PYRROLIDINE DERIVATIVES UCB S.A. (BE) 2008-01-10 US disclosed
EP-1806339-A1 Process for the preparation of 2-oxo-1-pyrrolidine derivatives UCB, S.A. (BE) 2007-07-11 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
US-20040058991-A1 N-alkylated gaba compounds, processes for their preparation and their use as medicaments UCB S.A. (BE) 2004-03-25 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-20080009638-A1 PROCESS FOR THE PREPARATION OF 2-OXO-1-PYRROLIDINE DERIVATIVES CYP2F1, CYP3A5, SULT1E1 CYP1A2 30/4885KMT2A 490/4885POLB 860/4885
US-20040058991-A1 N-alkylated gaba compounds, processes for their preparation and their use as medicaments GABBR1, GABRB1, GABRB2 CYP1A2 278/4885KMT2A 2654/4885POLB 996/4885

“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.