SCHEMBL1007159

SCHEMBL1007159

CN(C)CC(CC(=O)O)NC(=O)CCCCCCCOCc1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.44
MMEL1 Q495T6 2/20 0.44
MAOB P27338 1/20 0.41
FFAR1 O14842 1/20 0.39
EPHX2 P34913 1/20 0.39
PLA2G2A P14555 1/20 0.39
FOLH1 Q04609 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
NR4A2 P43354 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
SCHEMBL1007157 1.00 MME (0.44) MMEMMEL1MAOBFFAR1EPHX2
SCHEMBL1008458 0.90 EPHX2 (0.40) MAOBEPHX2MEN1KMT2A
SCHEMBL1008456 0.90 EPHX2 (0.40) MAOBEPHX2MEN1KMT2A
SCHEMBL1006746 0.89 EPHX2 (0.48) EPHX2PLA2G2AITGB3ITGA2B
SCHEMBL1009841 0.89 EPHX2 (0.48) EPHX2PLA2G2AITGB3ITGA2B
SCHEMBL1006749 0.89 EPHX2 (0.48) EPHX2PLA2G2AITGB3ITGA2B
SCHEMBL1009839 0.89 EPHX2 (0.48) EPHX2PLA2G2AITGB3ITGA2B
SCHEMBL1006559 0.88 MME (0.47) MMEMMEL1FFAR1EPHX2PLA2G2A
SCHEMBL1006558 0.88 MME (0.47) MMEMMEL1FFAR1EPHX2PLA2G2A
SCHEMBL1006576 0.87 PIN1 (0.38) MMEMMEL1EPHX2PLA2G2AITGB3

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 22 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
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
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
EP-2280935-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-02-09 EP 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 MME 3231/4885MMEL1 2067/4885MAOB 255/4885
US-20090270500-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS CPT1A, CPT1B, CPT2 MME 3145/4885MMEL1 1400/4885MAOB 501/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 MME 3231/4885MMEL1 2067/4885MAOB 255/4885
US-20130030033-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS CPT1A, CPT1B, CPT2 MME 3145/4885MMEL1 1400/4885MAOB 501/4885

“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.