SCHEMBL3056955

SCHEMBL3056955

Cn1c(C(=O)N2CCNCC2)cc2ccc(Oc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4Cl)cn3)cc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.49
SCN7A Q01118 2/20 0.49
KCNH2 Q12809 2/20 0.49
SCN5A Q14524 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN8A Q9UQD0 1/20 0.49
SCN10A Q9Y5Y9 1/20 0.49
STAT3 P40763 13/20 0.48
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL3062716 0.93 SCN9A (0.51) SCN9ASCN7AKCNH2SCN5ASCN2A
Hydrochloric Acid SCHEMBL3047175 0.92 SCN9A (0.49) SCN9ASCN7AKCNH2SCN5ASCN2A
SCHEMBL3062264 0.90 STAT3 (0.54) SCN9ASCN7AKCNH2SCN5ASCN2A
SCHEMBL10182050 0.90 STAT3 (0.48) SCN9ASTAT3
SCHEMBL3059637 0.87 GAA (0.51) SCN9ASTAT3RAB9AGAA
SCHEMBL10181040 0.86 STAT3 (0.57) STAT3
Hydrochloric Acid SCHEMBL3063810 0.86 STAT3 (0.62) STAT3
SCHEMBL3057605 0.86 STAT3 (0.57) STAT3
Bromide SCHEMBL3062150 0.86 STAT3 (0.57) STAT3
SCHEMBL3067761 0.85 SCN9A (0.51) SCN9ASCN7AKCNH2SCN5ASCN2A

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 SCN9A 2616/4885SCN7A 3238/4885KCNH2 2865/4885

“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.