SCHEMBL1008164

SCHEMBL1008164

CN(C)C[C@@H](CC(=O)OCc1ccccc1)NC(=O)CCCCCCCCOc1ccc(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.40
LPAR3 Q9UBY5 2/20 0.40
ITGB3 P05106 6/20 0.39
ITGA2B P08514 6/20 0.39
HDAC1 Q13547 3/20 0.39
LTA4H P09960 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL1008166 1.00 LPAR1 (0.40) LPAR1LPAR3ITGB3ITGA2BHDAC1
SCHEMBL1008462 0.90 KDM4E (0.43) LPAR1LPAR3ITGB3ITGA2BHDAC1
SCHEMBL1008461 0.90 KDM4E (0.43) LPAR1LPAR3ITGB3ITGA2BHDAC1
SCHEMBL1007577 0.90 GPR34 (0.42) HDAC1HDAC8HDAC6
SCHEMBL1007575 0.90 GPR34 (0.42) HDAC1HDAC8HDAC6
SCHEMBL1009306 0.89 HDAC1 (0.47) LPAR1LPAR3ITGB3ITGA2BHDAC1
SCHEMBL1005585 0.89 HDAC1 (0.47) LPAR1LPAR3ITGB3ITGA2BHDAC1
SCHEMBL4307663 0.89 HDAC1 (0.47) LPAR1LPAR3ITGB3ITGA2BHDAC1
SCHEMBL1009308 0.89 HDAC1 (0.47) LPAR1LPAR3ITGB3ITGA2BHDAC1
SCHEMBL1008356 0.89 EPHX2 (0.39) LPAR1LPAR3HDAC1HDAC6

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 2640/4885ITGB3 4217/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 LPAR1 2314/4885LPAR3 2640/4885ITGB3 4217/4885

“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.