SCHEMBL781733

SCHEMBL781733

CC(C)(C)OC(=O)COc1ccc(CCC(=O)OCc2ccccc2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.45
ACLY P53396 1/20 0.42
FFAR1 O14842 4/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
AAK1 Q2M2I8 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ADRB3 P13945 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
F2 P00734 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40

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
SCHEMBL781750 0.85 FFAR4 (0.50) FFAR4FFAR1CYP2C19ADRB3TDP1
SCHEMBL783355 0.82 FFAR1 (0.52) FFAR4FFAR1CYP2C19MAPTMEN1
SCHEMBL4910758 0.77 PTGER1 (0.49) ACLYMAPT
SCHEMBL27374983 0.75 TDP1 (0.61) CYP2C19MAPTHPGDTDP1
SCHEMBL781984 0.75 APP (0.59) CYP2C19MAPTMEN1KMT2AF2
SCHEMBL7332893 0.75 ALDH1A1 (0.56) MAPTMEN1KMT2ATDP1
SCHEMBL9078410 0.74 ALDH1A1 (0.62) FFAR4FFAR1MAPTADRB3TDP1
SCHEMBL7283134 0.74 KMT2A (0.48) MAPTHPGDMEN1KMT2ATDP1
SCHEMBL19193891 0.74 FFAR4 (0.59) FFAR4FFAR1TDP1
SCHEMBL3988312 0.74 FFAR1 (0.71) FFAR4FFAR1RXRARXRBMAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170143705-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2017-05-25 US disclosed
US-9522149-B2 Pyrazine derivatives as ENaC blockers NOVARTIS AG (CH) 2016-12-20 US disclosed
US-20150224098-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2015-08-13 US disclosed
US-9050339-B2 Pyrazine derivatives as ENaC blockers NOVARTIS AG (CH) 2015-06-09 US disclosed
EP-2616447-B1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2015-02-18 EP disclosed
US-20140113914-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2014-04-24 US disclosed
EP-2616447-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS Novartis AG (CH) 2013-07-24 EP disclosed
US-8372845-B2 Pyrazine derivatives as enac blockers NOVARTIS AG (CH) 2013-02-12 US disclosed
WO-2012035158-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 WO disclosed
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 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 (4 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-20140113914-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A FFAR4 1905/4885ACLY 3550/4885FFAR1 1050/4885
US-20150224098-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A FFAR4 1905/4885ACLY 3550/4885FFAR1 1050/4885
US-20170143705-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A FFAR4 1905/4885ACLY 3550/4885FFAR1 1050/4885
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A FFAR4 1905/4885ACLY 3550/4885FFAR1 1050/4885

“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.