SCHEMBL1007590

SCHEMBL1007590

CN(C)CC(CC(=O)O)NC(=O)CCCCCCCOCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
FFAR2 O15552 2/20 0.41
MME P08473 2/20 0.41
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
UTS2R Q9UKP6 2/20 0.39
FFAR1 O14842 3/20 0.38
PPARG P37231 1/20 0.38
EPHX2 P34913 1/20 0.37
PLA2G2A P14555 1/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL1007588 1.00 HDAC1 (0.41) HDAC1HDAC8HDAC3HDAC2HDAC10
SCHEMBL1008336 0.89 EPHX2 (0.40) HDAC1HDAC8HDAC3HDAC2HDAC10
SCHEMBL1008335 0.89 EPHX2 (0.40) HDAC1HDAC8HDAC3HDAC2HDAC10
SCHEMBL1006558 0.89 MME (0.47) HDAC1HDAC8HDAC3HDAC2HDAC10
SCHEMBL1006559 0.89 MME (0.47) HDAC1HDAC8HDAC3HDAC2HDAC10
SCHEMBL1006749 0.88 EPHX2 (0.48) EPHX2PLA2G2A
SCHEMBL1009839 0.88 EPHX2 (0.48) EPHX2PLA2G2A
SCHEMBL1006746 0.88 EPHX2 (0.48) EPHX2PLA2G2A
SCHEMBL1009841 0.88 EPHX2 (0.48) EPHX2PLA2G2A
SCHEMBL1007060 0.87 HDAC1 (0.44) HDAC1HDAC8HDAC3HDAC2HDAC10

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 HDAC1 360/4885HDAC8 1043/4885HDAC3 523/4885
US-20090270500-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS CPT1A, CPT1B, CPT2 HDAC1 145/4885HDAC8 676/4885HDAC3 244/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 HDAC1 360/4885HDAC8 1043/4885HDAC3 523/4885
US-20130030033-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS CPT1A, CPT1B, CPT2 HDAC1 145/4885HDAC8 676/4885HDAC3 244/4885

“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.