SCHEMBL1007161

SCHEMBL1007161

CN(C)C[C@@H](CC(=O)O)NC(=O)CCCCCCCCOCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.49
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.42
ALOX5 P09917 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
CASP1 P29466 1/20 0.39

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
SCHEMBL1007162 1.00 PLA2G2A (0.49) PLA2G2AITGB3ITGA2BSMN1; SMN2ALOX5
SCHEMBL1006388 0.96 PLA2G2A (0.52) PLA2G2AITGB3ITGA2BSMN1; SMN2ALOX5
SCHEMBL1007708 0.96 PLA2G2A (0.52) PLA2G2AITGB3ITGA2BSMN1; SMN2ALOX5
SCHEMBL1006387 0.96 PLA2G2A (0.52) PLA2G2AITGB3ITGA2BSMN1; SMN2ALOX5
SCHEMBL1007706 0.96 PLA2G2A (0.52) PLA2G2AITGB3ITGA2BSMN1; SMN2ALOX5
SCHEMBL1005860 0.94 PLA2G2A (0.52) PLA2G2AITGB3ITGA2BSMN1; SMN2ALOX5
SCHEMBL1005862 0.94 PLA2G2A (0.52) PLA2G2AITGB3ITGA2BSMN1; SMN2ALOX5
SCHEMBL1006749 0.90 EPHX2 (0.48) PLA2G2AITGB3ITGA2B
SCHEMBL1009839 0.90 EPHX2 (0.48) PLA2G2AITGB3ITGA2B
SCHEMBL1006746 0.90 EPHX2 (0.48) 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 12 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-2268606-B1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-08-06 EP 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-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
US-20090270505-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES HOFFMANN-LA ROCHE, INC. 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 (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-20090270505-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 PLA2G2A 978/4885ITGB3 4217/4885ITGA2B 2298/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 PLA2G2A 978/4885ITGB3 4217/4885ITGA2B 2298/4885

“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.