SCHEMBL1007372

SCHEMBL1007372

CN(C)C[C@@H](CC(=O)O)NC(=O)CCCCCCCCOc1cccc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
GRM2 Q14416 2/20 0.42
MME P08473 6/20 0.38
CNR2 P34972 1/20 0.37
MMEL1 Q495T6 3/20 0.36
PLA2G2A P14555 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTPN1 P18031 1/20 0.36
CYP3A4 P08684 1/20 0.35
GNRHR P30968 1/20 0.35
CTSA P10619 1/20 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
SCHEMBL1007373 1.00 KDM4E (0.43) KDM4EGRM2MMECNR2MMEL1
SCHEMBL1007263 0.92 KDM4E (0.53) KDM4EGRM2MMECNR2MMEL1
SCHEMBL1007266 0.92 KDM4E (0.53) KDM4EGRM2MMECNR2MMEL1
SCHEMBL1006603 0.91 CNR2 (0.38) KDM4EGRM2MMECNR2MMEL1
SCHEMBL1006600 0.91 CNR2 (0.38) KDM4EGRM2MMECNR2MMEL1
SCHEMBL1005714 0.87 KDM4E (0.40) KDM4EGRM2L3MBTL1
SCHEMBL1005712 0.87 KDM4E (0.40) KDM4EGRM2L3MBTL1
SCHEMBL1007774 0.86 MMEL1 (0.44) KDM4EMMECNR2MMEL1L3MBTL1
SCHEMBL1007772 0.86 MMEL1 (0.44) KDM4EMMECNR2MMEL1L3MBTL1
SCHEMBL1007493 0.85 FFAR4 (0.37) KDM4EMMECNR2MMEL1PLA2G2A

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 KDM4E 1441/4885GRM2 1610/4885MME 3231/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 KDM4E 1441/4885GRM2 1610/4885MME 3231/4885

“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.