SCHEMBL1008221

SCHEMBL1008221

CN(C)C[C@@H](CC(=O)O)NC(=O)CCCCCCCCCCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.60
ITGB3 P05106 4/20 0.57
ITGA2B P08514 4/20 0.57
ALOX5 P09917 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 1/20 0.52
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CTSG P08311 1/20 0.48
CMA1 P23946 1/20 0.48
KDM4A O75164 1/20 0.47
KDM5A P29375 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
PHF8 Q9UPP1 1/20 0.47
KDM2A Q9Y2K7 1/20 0.47
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
DAGLA Q9Y4D2 1/20 0.45

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
SCHEMBL1008547 1.00 PLA2G2A (0.60) PLA2G2AITGB3ITGA2BALOX5HDAC1
SCHEMBL1005598 1.00 PLA2G2A (0.60) PLA2G2AITGB3ITGA2BALOX5HDAC1
SCHEMBL1007375 1.00 PLA2G2A (0.60) PLA2G2AITGB3ITGA2BALOX5HDAC1
SCHEMBL1007374 1.00 PLA2G2A (0.60) PLA2G2AITGB3ITGA2BALOX5HDAC1
SCHEMBL1006714 1.00 PLA2G2A (0.60) PLA2G2AITGB3ITGA2BALOX5HDAC1
SCHEMBL1005630 1.00 PLA2G2A (0.60) PLA2G2AITGB3ITGA2BALOX5HDAC1
SCHEMBL4294010 1.00 PLA2G2A (0.60) PLA2G2AITGB3ITGA2BALOX5HDAC1
SCHEMBL1008447 1.00 PLA2G2A (0.60) PLA2G2AITGB3ITGA2BALOX5HDAC1
SCHEMBL1006715 1.00 PLA2G2A (0.60) PLA2G2AITGB3ITGA2BALOX5HDAC1
SCHEMBL1008526 1.00 PLA2G2A (0.60) PLA2G2AITGB3ITGA2BALOX5HDAC1

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 25 patents — showing the first 20. 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
CN-101952243-B 4-dimethylaminobutyric acid derivatives HOFFMANN LA ROCHE 2014-07-16 CN 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
CN-101952243-A 4-dimethylaminobutyric acid derivatives HOFFMANN LA ROCHE 2011-01-19 CN 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
CN-101952243-B 4-dimethylaminobutyric acid derivatives HOFFMANN LA ROCHE 2014-07-16 CN disclosed
US-8673946-B2 4-trimethylammonio-butyrates as CPT2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-03-18 US disclosed
CN-102015626-B 4-trimethylammonio-butyrates as CPT2 inhibitors HOFFMANN LA ROCHE 2013-12-11 CN disclosed
US-20130030033-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2013-01-31 US disclosed
CN-101952243-A 4-dimethylaminobutyric acid derivatives HOFFMANN LA ROCHE 2011-01-19 CN disclosed
EP-2268606-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed
WO-2009132979-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 WO disclosed
WO-2009132978-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES 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 PLA2G2A 978/4885ITGB3 4217/4885ITGA2B 2298/4885
US-20090270500-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS CPT1A, CPT1B, CPT2 PLA2G2A 1854/4885ITGB3 3479/4885ITGA2B 2337/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 PLA2G2A 978/4885ITGB3 4217/4885ITGA2B 2298/4885
US-20130030033-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS CPT1A, CPT1B, CPT2 PLA2G2A 1854/4885ITGB3 3479/4885ITGA2B 2337/4885

“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.