SCHEMBL1007774

SCHEMBL1007774

CN(C)CC(CC(=O)O)NC(=O)CCCCCCCCOc1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 2/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
KDM4E B2RXH2 2/20 0.41
CNR2 P34972 1/20 0.39
MME P08473 3/20 0.39
FAAH O00519 2/20 0.38
BRD4 O60885 2/20 0.37
HPGD P15428 1/20 0.36
NLRP1 Q9C000 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL1007772 1.00 MMEL1 (0.44) MMEL1THRATHRBKDM4ECNR2
SCHEMBL1007263 0.90 KDM4E (0.53) MMEL1KDM4ECNR2MMEHDAC1
SCHEMBL1007266 0.90 KDM4E (0.53) MMEL1KDM4ECNR2MMEHDAC1
SCHEMBL1006600 0.87 CNR2 (0.38) MMEL1THRATHRBKDM4ECNR2
SCHEMBL1006603 0.87 CNR2 (0.38) MMEL1THRATHRBKDM4ECNR2
SCHEMBL1006472 0.86 KDM4E (0.39) THRATHRBKDM4ECNR2HDAC1
SCHEMBL1006470 0.86 KDM4E (0.39) THRATHRBKDM4ECNR2HDAC1
SCHEMBL1007373 0.86 KDM4E (0.43) MMEL1KDM4ECNR2MMEL3MBTL1
SCHEMBL1007372 0.86 KDM4E (0.43) MMEL1KDM4ECNR2MMEL3MBTL1
SCHEMBL1005665 0.85 MMEL1 (0.38) MMEL1CNR2MMEHDAC1HDAC6

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 MMEL1 2067/4885THRA 1447/4885THRB 517/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 MMEL1 2067/4885THRA 1447/4885THRB 517/4885

“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.