SCHEMBL781576

SCHEMBL781576

NCCC(=O)OCC(=O)OC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.46
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.41
CYP19A1 P11511 2/20 0.40
EPHX1 P07099 2/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
KLK7 P49862 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL4642740 0.87 NAAA (0.58) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL15727148 0.87 NAAA (0.58) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL18681694 0.87 NAAA (0.58) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL18126176 0.86 NAAA (0.62) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL18126174 0.84 NAAA (0.65) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL18126160 0.84 NAAA (0.65) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL949697 0.80 CYP2C19 (0.47) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL949611 0.80 CYP2C19 (0.47) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL949533 0.80 CYP2C19 (0.47) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL950468 0.80 CYP2C19 (0.47) NAAACYP2C19HTTCYP19A1EPHX1

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
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 US disclosed
WO-2012035158-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 WO 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 NAAA 3829/4885CYP2C19 1366/4885HTT 2380/4885
US-20150224098-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A NAAA 3829/4885CYP2C19 1366/4885HTT 2380/4885
US-20170143705-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A NAAA 3829/4885CYP2C19 1366/4885HTT 2380/4885
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A NAAA 3829/4885CYP2C19 1366/4885HTT 2380/4885

“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.