SCHEMBL1009839

SCHEMBL1009839

CN(C)C[C@@H](CC(=O)O)NC(=O)CCCCCCCOCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
PLA2G2A P14555 1/20 0.45
MMP3 P08254 4/20 0.43
MMP8 P22894 4/20 0.43
MMP1 P03956 3/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
MMP9 P14780 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LPAR1 Q92633 2/20 0.41
LPAR3 Q9UBY5 1/20 0.41

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
SCHEMBL1009841 1.00 EPHX2 (0.48) EPHX2PLA2G2AMMP3MMP8MMP1
SCHEMBL1006749 1.00 EPHX2 (0.48) EPHX2PLA2G2AMMP3MMP8MMP1
SCHEMBL1006746 1.00 EPHX2 (0.48) EPHX2PLA2G2AMMP3MMP8MMP1
SCHEMBL1009250 0.94 HDAC1 (0.47) EPHX2PLA2G2A
SCHEMBL1009248 0.94 HDAC1 (0.47) EPHX2PLA2G2A
SCHEMBL1009950 0.90 EPHX2 (0.46) EPHX2MMP3MMP8MMP1MMP9
SCHEMBL1009949 0.90 EPHX2 (0.46) EPHX2MMP3MMP8MMP1MMP9
SCHEMBL1006559 0.90 MME (0.47) EPHX2PLA2G2AMMP3MMP8MMP1
SCHEMBL1006558 0.90 MME (0.47) EPHX2PLA2G2AMMP3MMP8MMP1
SCHEMBL1007161 0.90 PLA2G2A (0.49) PLA2G2AITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268606-B1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-08-06 EP claimed
US-8344027-B2 4-dimethylaminobutyric acid derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-01 US claimed
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES ANDJELKOVIC MIRJANA (CH) 2012-11-15 US claimed
EP-2268606-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-01-05 EP claimed
WO-2009132978-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 WO claimed
US-20090270505-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-10-29 US claimed
EP-2280935-B1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-10-15 EP disclosed
EP-2268606-B1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-08-06 EP disclosed
US-8673946-B2 4-trimethylammonio-butyrates as CPT2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-03-18 US disclosed
US-20130030033-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2013-01-31 US disclosed
US-8349893-B2 4-trimethylammonio-butyrates as CPT2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
US-8344027-B2 4-dimethylaminobutyric acid derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-01 US disclosed
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES ANDJELKOVIC MIRJANA (CH) 2012-11-15 US disclosed
EP-2280935-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-02-09 EP disclosed
EP-2268606-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed
WO-2009132978-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 WO disclosed
WO-2009132979-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 WO disclosed
US-20090270505-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-10-29 US disclosed
US-20090270500-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-29 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 (4 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-20090270505-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 EPHX2 2708/4885PLA2G2A 978/4885MMP3 3126/4885
US-20090270500-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS CPT1A, CPT1B, CPT2 EPHX2 3402/4885PLA2G2A 1854/4885MMP3 2459/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 EPHX2 2708/4885PLA2G2A 978/4885MMP3 3126/4885
US-20130030033-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS CPT1A, CPT1B, CPT2 EPHX2 3402/4885PLA2G2A 1854/4885MMP3 2459/4885

“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.