SCHEMBL3046919

SCHEMBL3046919

Cn1c(C(=O)N2CCNCC2)cc2cc(Oc3ccc(NCc4ccc(Cl)c(Cl)c4)cn3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.43
SCN7A Q01118 6/20 0.43
KCNH2 Q12809 6/20 0.43
HRH3 Q9Y5N1 4/20 0.41
SCN10A Q9Y5Y9 4/20 0.41
SCN5A Q14524 2/20 0.41
SCN2A Q99250 2/20 0.41
SCN8A Q9UQD0 2/20 0.41
PIK3CA P42336 2/20 0.37
PRKAA2 P54646 2/20 0.37
STAT3 P40763 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
PABPC1 P11940 1/20 0.37
S100A4 P26447 1/20 0.37
KMT2A Q03164 1/20 0.37
EIF4H Q15056 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
SCHEMBL3057678 0.88 HRH3 (0.41) SCN9AHRH3PIK3CAPRKAA2STAT3
Bromide SCHEMBL3062614 0.88 STAT3 (0.46) PIK3CAPRKAA2STAT3
SCHEMBL3062018 0.85 HRH3 (0.46) SCN9ASCN7AKCNH2HRH3SCN10A
SCHEMBL10180858 0.84 MEN1 (0.48) KCNH2STAT3SMN1; SMN2MEN1MAPT
Bromide SCHEMBL3060756 0.84 MEN1 (0.47) KCNH2STAT3SMN1; SMN2MEN1MAPT
SCHEMBL3046922 0.81 SCN9A (0.46) SCN9ASCN7AKCNH2HRH3SCN10A
SCHEMBL3060033 0.80 HRH3 (0.45) SCN9ASCN7AKCNH2HRH3SCN10A
Trifluoroacetic Acid SCHEMBL3061711 0.80 SCN9A (0.41) SCN9ASCN7AKCNH2HRH3SCN10A
SCHEMBL10180856 0.80 HRH3 (0.39) HRH3STAT3MEN1KMT2A
Bromide SCHEMBL3060752 0.80 HRH3 (0.39) HRH3STAT3MEN1KMT2A

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.