SCHEMBL1006971

SCHEMBL1006971

CN(C)CC(CC(=O)OCc1ccccc1)NC(=O)CCCCCCCCOc1ccc(F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.36
LPAR3 Q9UBY5 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CNR2 P34972 1/20 0.35
LTA4H P09960 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
SCHEMBL1006969 1.00 LPAR1 (0.36) LPAR1LPAR3KDM4EMEN1KMT2A
SCHEMBL1005712 0.93 KDM4E (0.40) LPAR1LPAR3KDM4EMEN1KMT2A
SCHEMBL1005714 0.93 KDM4E (0.40) LPAR1LPAR3KDM4EMEN1KMT2A
SCHEMBL1008361 0.90 KDM4E (0.47) LPAR1LPAR3KDM4EMEN1KMT2A
SCHEMBL1008363 0.90 KDM4E (0.47) LPAR1LPAR3KDM4EMEN1KMT2A
SCHEMBL1006470 0.89 KDM4E (0.39) LPAR1LPAR3KDM4ECNR2
SCHEMBL1006472 0.89 KDM4E (0.39) LPAR1LPAR3KDM4ECNR2
SCHEMBL1009933 0.88 EPHX2 (0.37) LPAR1LPAR3MEN1KMT2AALDH1A1
SCHEMBL1009934 0.88 EPHX2 (0.37) LPAR1LPAR3MEN1KMT2AALDH1A1
SCHEMBL1006603 0.86 CNR2 (0.38) KDM4EALDH1A1HPGDCNR2

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 6 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 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 LPAR1 2314/4885LPAR3 2640/4885KDM4E 1441/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 LPAR1 2314/4885LPAR3 2640/4885KDM4E 1441/4885

“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.