SCHEMBL1006867

SCHEMBL1006867

OCCCCCCCCCOc1ccc(F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
CNR2 P34972 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
LOX P28300 1/20 0.38
AOC3 Q16853 1/20 0.38
CNR1 P21554 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GRM2 Q14416 2/20 0.36
FFAR1 O14842 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1007452 0.84 GRM2 (0.46) L3MBTL1CNR2CNR1TDP1GRM2
SCHEMBL25797679 0.84 IDO1 (0.42) L3MBTL1CNR2LOXAOC3CNR1
SCHEMBL6002091 0.81 L3MBTL1 (0.47) L3MBTL1CNR2LOXAOC3CNR1
SCHEMBL1009647 0.80 FFAR1 (0.44) CNR2FFAR1ALDH1A1FFAR4
SCHEMBL4951982 0.77 FFAR4 (0.45) CNR2FFAR1FFAR4
SCHEMBL201629 0.77 CNR2 (0.37) L3MBTL1CNR2HTR2AHTR2CHTR2B
SCHEMBL15131365 0.77 L3MBTL1 (0.46) L3MBTL1HTR2AHTR2CHTR2BTDP1
SCHEMBL1006460 0.76 L3MBTL1 (0.42) L3MBTL1TDP1GRM2ALDH1A1KDM4E
SCHEMBL6484870 0.76 KDM4E (0.50) L3MBTL1HTR2AHTR2CHTR2BKDM4E
SCHEMBL25798405 0.76 VDR (0.37) L3MBTL1CNR2LOXAOC3ALDH1A1

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 L3MBTL1 1452/4885CNR2 311/4885HTR2A 1222/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 L3MBTL1 1452/4885CNR2 311/4885HTR2A 1222/4885

“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.