SCHEMBL851888

SCHEMBL851888

N#Cc1ccc(Oc2cc(Oc3ccc(C#N)cn3)cc(C(=O)N3CCNCC3)c2)nc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.54
KCNH2 Q12809 8/20 0.48
SCN7A Q01118 7/20 0.48
SCN9A Q15858 7/20 0.48
SCN10A Q9Y5Y9 4/20 0.46
SCN5A Q14524 2/20 0.46
SCN2A Q99250 2/20 0.46
SCN8A Q9UQD0 2/20 0.46
MKNK1 Q9BUB5 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
CYP3A4 P08684 1/20 0.46
PDE4B Q07343 1/20 0.43
EGLN2 Q96KS0 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL851550 0.83 HRH3 (0.52) HRH3KCNH2EGLN2
SCHEMBL851451 0.83 SCN9A (0.63) KCNH2SCN7ASCN9AMKNK1MKNK2
SCHEMBL16966986 0.80 SCN9A (0.78) KCNH2SCN7ASCN9ASCN10ASCN5A
SCHEMBL850540 0.79 PDE4B (0.48) HRH3SCN9APDE4BEGLN2
SCHEMBL14342678 0.74 HRH3 (0.91) HRH3KCNH2SCN7ASCN9ASCN10A
SCHEMBL1375337 0.74 SIGMAR1 (0.64) KCNH2SCN7ASCN9AMKNK1MKNK2
Hydrochloric Acid SCHEMBL7718789 0.72 SIGMAR1 (0.62) KCNH2SCN7ASCN9AMKNK1MKNK2
SCHEMBL851561 0.72 KDM4E (0.47) HRH3SCN9APDE4B
SCHEMBL13093862 0.72 HRH3 (0.80) HRH3KCNH2SIGMAR1
SCHEMBL851706 0.71 SCN7A (0.55) HRH3KCNH2SCN7ASCN9ASCN10A

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 HRH3 2164/4885KCNH2 4297/4885SCN7A 2970/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 HRH3 2164/4885KCNH2 4297/4885SCN7A 2970/4885

“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.