SCHEMBL1006440

SCHEMBL1006440

CN(C)C[C@@H](CC(=O)O)NC(=O)CCCCCCOCCc1cccc(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.36
MME P08473 5/20 0.36
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
MMEL1 Q495T6 3/20 0.33
CNR2 P34972 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL1006442 1.00 PLA2G2A (0.36) PLA2G2AMMEITGB3ITGA2BMMEL1
SCHEMBL1007494 0.91 FFAR4 (0.37) PLA2G2AMMEITGB3ITGA2BMMEL1
SCHEMBL1007493 0.91 FFAR4 (0.37) PLA2G2AMMEITGB3ITGA2BMMEL1
SCHEMBL1006412 0.90 PLA2G2A (0.41) PLA2G2AMMEITGB3ITGA2BMMEL1
SCHEMBL1006414 0.90 PLA2G2A (0.41) PLA2G2AMMEITGB3ITGA2BMMEL1
SCHEMBL1007207 0.88 KMT2A (0.34) MMEL1MEN1GAAKMT2A
SCHEMBL1007206 0.88 KMT2A (0.34) MMEL1MEN1GAAKMT2A
SCHEMBL1007270 0.85 MME (0.39) PLA2G2AMMEITGB3ITGA2BMEN1
SCHEMBL1007268 0.85 MME (0.39) PLA2G2AMMEITGB3ITGA2BMEN1
SCHEMBL1007373 0.84 KDM4E (0.43) PLA2G2AMMEMMEL1CNR2FFAR4

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 978/4885MME 3231/4885ITGB3 4217/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 PLA2G2A 978/4885MME 3231/4885ITGB3 4217/4885

“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.