SCHEMBL1007452

SCHEMBL1007452

OCCCCCCCCCOc1cccc(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.43
CNR2 P34972 2/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
PTK2B Q14289 1/20 0.39
CNR1 P21554 1/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL6002091 0.98 L3MBTL1 (0.47) GRM2L3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL1007504 0.87 GRM2 (0.43) GRM2L3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL15522564 0.86 LTA4H (0.40) GRM2L3MBTL1TDP1ALDH1A1MEN1
SCHEMBL1008448 0.85 L3MBTL1 (0.62) GRM2L3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL1006867 0.84 L3MBTL1 (0.40) GRM2L3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL7781687 0.82 L3MBTL1 (0.54) GRM2L3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL8746459 0.82 L3MBTL1 (0.54) GRM2L3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL8234319 0.82 L3MBTL1 (0.54) GRM2L3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL4826935 0.82 L3MBTL1 (0.54) GRM2L3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL8746453 0.82 L3MBTL1 (0.54) GRM2L3MBTL1TDP1ALDH1A1KDM4E

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 GRM2 1610/4885L3MBTL1 1452/4885TDP1 2013/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 GRM2 1610/4885L3MBTL1 1452/4885TDP1 2013/4885

“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.