SCHEMBL1007490

SCHEMBL1007490

OCCCCCCCOCCc1cccc(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.36
CXCR2 P25025 5/20 0.34
CCR7 P32248 2/20 0.33
GAA P10253 2/20 0.32
RIPK1 Q13546 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
CES2 O00748 1/20 0.30
BCHE P06276 1/20 0.30
CES1 P23141 1/20 0.30
MEN1 O00255 1/20 0.30
THRB P10828 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1010073 0.86 FFAR4 (0.36) CXCR2CCR7FFAR4HTTKMT2A
SCHEMBL29666343 0.85 TAAR1 (0.40) CXCR2RIPK1TAAR1CES2BCHE
SCHEMBL28687834 0.83 TAAR1 (0.36) CXCR2RIPK1FFAR4TAAR1
SCHEMBL4825251 0.83 CXCR2 (0.37) CXCR2CCR7GAARIPK1TAAR1
SCHEMBL9148237 0.83 CXCR2 (0.37) CXCR2CCR7GAARIPK1TAAR1
SCHEMBL8746396 0.83 CXCR2 (0.37) CXCR2CCR7GAARIPK1TAAR1
SCHEMBL8746397 0.83 CXCR2 (0.37) CXCR2CCR7GAARIPK1TAAR1
SCHEMBL1007744 0.82 FFAR4 (0.46) FFAR4MEN1KMT2A
SCHEMBL1006970 0.81 FFAR4 (0.35) RIPK1FFAR4CES2BCHECES1
SCHEMBL4637623 0.81 CXCR2 (0.38) CXCR2CCR7GAARIPK1TAAR1

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 PTGS2 824/4885CXCR2 3910/4885CCR7 4231/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 PTGS2 824/4885CXCR2 3910/4885CCR7 4231/4885

“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.