SCHEMBL3060033

SCHEMBL3060033

CN(C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Oc2ccc3c(c2)cc(C(=O)N2CCNCC2)n3C)nc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.45
SCN9A Q15858 10/20 0.43
SCN7A Q01118 7/20 0.43
KCNH2 Q12809 7/20 0.43
SCN10A Q9Y5Y9 5/20 0.42
SCN5A Q14524 2/20 0.42
SCN2A Q99250 2/20 0.42
SCN8A Q9UQD0 2/20 0.42
MLNR O43193 3/20 0.40
LGALS8 O00214 1/20 0.37
LGALS3 P17931 1/20 0.37

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
SCHEMBL3064179 0.94 HRH3 (0.45) HRH3SCN9ASCN7AKCNH2SCN10A
SCHEMBL3046922 0.89 SCN9A (0.46) HRH3SCN9ASCN7AKCNH2SCN10A
SCHEMBL3064409 0.88 HRH3 (0.44) HRH3SCN9AMLNRLGALS8LGALS3
SCHEMBL3056188 0.88 HRH3 (0.40) HRH3SCN9ASCN7AKCNH2SCN10A
SCHEMBL3055461 0.87 SCN9A (0.54) SCN9ASCN7AKCNH2SCN10ASCN5A
Bromide SCHEMBL3061151 0.86 STAT3 (0.45) HRH3MLNR
SCHEMBL3063218 0.86 LGALS8 (0.38) HRH3SCN9ASCN7AKCNH2SCN10A
Bromide SCHEMBL3064130 0.86 STAT3 (0.44) HRH3MLNR
SCHEMBL3057342 0.86 L3MBTL1 (0.46) HRH3MLNRLGALS8LGALS3
SCHEMBL3062018 0.85 HRH3 (0.46) HRH3SCN9ASCN7AKCNH2SCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 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 (1 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 HRH3 19/4885SCN9A 2616/4885SCN7A 3238/4885

“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.