SCHEMBL851706

SCHEMBL851706

N#Cc1ccc(Oc2ccc(C(=O)N3CCNCC3)c(Oc3ccc(C#N)cc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN7A Q01118 10/20 0.55
KCNH2 Q12809 10/20 0.55
SCN9A Q15858 10/20 0.55
F10 P00742 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
ST14 Q9Y5Y6 1/20 0.48
HRH3 Q9Y5N1 1/20 0.43
POLB P06746 1/20 0.41
KDM1A O60341 1/20 0.41
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39

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
SCHEMBL850901 0.83 GPR119 (0.49) SCN7AKCNH2SCN9AF10PRSS1
SCHEMBL8509596 0.79 F10 (0.53) F10PRSS1PRSS2PRSS3ST14
SCHEMBL851787 0.77 F2 (0.56) SCN9AF10PRSS1PRSS2PRSS3
SCHEMBL850860 0.76 SIGMAR1 (0.43) SCN7AKCNH2SCN9AF10PRSS1
SCHEMBL851402 0.75 F10 (0.53) SCN9AF10PRSS1PRSS2PRSS3
SCHEMBL851451 0.74 SCN9A (0.63) SCN7AKCNH2SCN9APRSS1PRSS2
SCHEMBL852030 0.74 F10 (0.48) SCN9AF10POLBSCN8ASCN10A
SCHEMBL8509642 0.73 F10 (0.58) F10POLB
SCHEMBL851176 0.72 F10 (0.49) SCN9AF10PRSS1PRSS2PRSS3
SCHEMBL851888 0.71 HRH3 (0.54) SCN7AKCNH2SCN9AHRH3SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
US-8722930-B2 Protease inhibitors ORION CORPORATION (FI) 2014-05-13 US disclosed
US-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 US disclosed
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 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 (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-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 SCN7A 2970/4885KCNH2 4297/4885SCN9A 1907/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 SCN7A 2970/4885KCNH2 4297/4885SCN9A 1907/4885

“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.