SCHEMBL1009250

SCHEMBL1009250

CN(C)CC(CC(=O)O)NC(=O)CCCCCCCOCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
MME P08473 7/20 0.44
MMEL1 Q495T6 3/20 0.44
EPHX2 P34913 1/20 0.43
ACE P12821 1/20 0.43
PLA2G2A P14555 1/20 0.42

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
SCHEMBL1009248 1.00 HDAC1 (0.47) HDAC1HDAC6MMEMMEL1EPHX2
SCHEMBL1006746 0.94 EPHX2 (0.48) EPHX2PLA2G2A
SCHEMBL1009841 0.94 EPHX2 (0.48) EPHX2PLA2G2A
SCHEMBL1006749 0.94 EPHX2 (0.48) EPHX2PLA2G2A
SCHEMBL1009839 0.94 EPHX2 (0.48) EPHX2PLA2G2A
SCHEMBL1006974 0.90 HDAC1 (0.47) HDAC1HDAC6MMEL1EPHX2
SCHEMBL1006975 0.90 HDAC1 (0.47) HDAC1HDAC6MMEL1EPHX2
SCHEMBL1006558 0.89 MME (0.47) HDAC1HDAC6MMEMMEL1EPHX2
SCHEMBL1006559 0.89 MME (0.47) HDAC1HDAC6MMEMMEL1EPHX2
SCHEMBL1005774 0.88 L3MBTL1 (0.45) HDAC1HDAC6MME

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 360/4885HDAC6 367/4885MME 3231/4885
US-20090270500-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS CPT1A, CPT1B, CPT2 HDAC1 145/4885HDAC6 184/4885MME 3145/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 HDAC1 360/4885HDAC6 367/4885MME 3231/4885
US-20130030033-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS CPT1A, CPT1B, CPT2 HDAC1 145/4885HDAC6 184/4885MME 3145/4885

“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.