SCHEMBL1006470

SCHEMBL1006470

CN(C)C[C@@H](CC(=O)OCc1ccccc1)NC(=O)CCCCCCCCOc1ccc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CNR2 P34972 1/20 0.36
LPAR1 Q92633 2/20 0.36
LPAR3 Q9UBY5 2/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC6 Q9UBN7 4/20 0.36

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
SCHEMBL1006472 1.00 KDM4E (0.39) KDM4ETHRATHRBL3MBTL1CNR2
SCHEMBL1008363 0.93 KDM4E (0.47) KDM4EL3MBTL1CNR2LPAR1LPAR3
SCHEMBL1008361 0.93 KDM4E (0.47) KDM4EL3MBTL1CNR2LPAR1LPAR3
SCHEMBL1006969 0.89 LPAR1 (0.36) KDM4ECNR2LPAR1LPAR3
SCHEMBL1005714 0.89 KDM4E (0.40) KDM4EL3MBTL1LPAR1LPAR3
SCHEMBL1006971 0.89 LPAR1 (0.36) KDM4ECNR2LPAR1LPAR3
SCHEMBL1005712 0.89 KDM4E (0.40) KDM4EL3MBTL1LPAR1LPAR3
SCHEMBL1005995 0.88 EPHX2 (0.36) CNR2LPAR1HDAC1HDAC6
SCHEMBL1005993 0.88 EPHX2 (0.36) CNR2LPAR1HDAC1HDAC6
SCHEMBL1008461 0.88 KDM4E (0.43) KDM4ELPAR1LPAR3HDAC1

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 KDM4E 1441/4885THRA 1447/4885THRB 517/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 KDM4E 1441/4885THRA 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.