SCHEMBL781522

SCHEMBL781522

CN(C)C(=O)COC(=O)COc1ccc(CCC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
FFAR1 O14842 12/20 0.51
FFAR4 Q5NUL3 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL781985 0.86 LMNA (0.48) LMNAL3MBTL1FFAR1FFAR4
SCHEMBL8551105 0.86 LMNA (0.63) LMNAL3MBTL1FFAR1FFAR4
SCHEMBL1586881 0.80 FFAR1 (0.63) LMNAL3MBTL1FFAR1FFAR4
SCHEMBL8849741 0.77 FFAR1 (0.67) LMNAL3MBTL1FFAR1FFAR4
SCHEMBL4633969 0.76 NPC1 (0.62) LMNAL3MBTL1FFAR1FFAR4
SCHEMBL1586865 0.76 LMNA (0.57) LMNAL3MBTL1FFAR1FFAR4SMN1; SMN2
SCHEMBL1205605 0.76 LMNA (0.75) LMNAL3MBTL1FFAR1FFAR4
SCHEMBL4884020 0.76 CYP4F2 (0.55) LMNAL3MBTL1FFAR1
SCHEMBL4879490 0.74 CYP4F2 (0.50) LMNAL3MBTL1FFAR1
SCHEMBL16695953 0.74 CYP4F2 (0.62) LMNAL3MBTL1FFAR1

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 LMNA 2950/4885L3MBTL1 3259/4885FFAR1 1050/4885
US-20150224098-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A LMNA 2950/4885L3MBTL1 3259/4885FFAR1 1050/4885
US-20170143705-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A LMNA 2950/4885L3MBTL1 3259/4885FFAR1 1050/4885
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A LMNA 2950/4885L3MBTL1 3259/4885FFAR1 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.