SCHEMBL1007747

SCHEMBL1007747

O=C(O)CCCCCCCOCCCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.73
RXFP1 Q9HBX9 1/20 0.73
HDAC3 O15379 1/20 0.67
MAPK1 P28482 1/20 0.67
ADRA1A P35348 1/20 0.67
HDAC4 P56524 1/20 0.67
SLC6A3 Q01959 1/20 0.67
HDAC1 Q13547 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
HDAC7 Q8WUI4 1/20 0.67
HDAC2 Q92769 1/20 0.67
HDAC10 Q969S8 1/20 0.67
HDAC11 Q96DB2 1/20 0.67
HDAC8 Q9BY41 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
HDAC9 Q9UKV0 1/20 0.67
HDAC5 Q9UQL6 1/20 0.67
FFAR1 O14842 3/20 0.59
KEAP1 Q14145 1/20 0.55
FAAH O00519 3/20 0.54

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
SCHEMBL1006037 1.00 MAPT (0.73) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL5969811 0.97 MAPT (0.79) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL1007391 0.93 MAPT (0.73) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL1007091 0.93 MAPT (0.68) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL7843032 0.93 MAPT (0.68) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL711487 0.89 HDAC3 (0.66) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL14227103 0.88 TOP1 (0.57) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL11847642 0.87 LTB4R (0.55) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL709052 0.86 HDAC3 (0.66) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL4898898 0.85 FFAR1 (0.68) MAPTRXFP1FFAR1LMNAS1PR1

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 MAPT 935/4885RXFP1 2945/4885HDAC3 523/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 MAPT 935/4885RXFP1 2945/4885HDAC3 523/4885

“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.