SCHEMBL3051748

SCHEMBL3051748

Cn1c(C(=O)N2CCNCC2)cc2cc(Oc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cn3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.53
SCN7A Q01118 5/20 0.53
KCNH2 Q12809 5/20 0.53
SCN10A Q9Y5Y9 2/20 0.53
SCN5A Q14524 1/20 0.53
SCN2A Q99250 1/20 0.53
SCN8A Q9UQD0 1/20 0.53
RAB9A P51151 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 2/20 0.49
NPC1 O15118 1/20 0.49
TNF P01375 1/20 0.49
NOD1 Q9Y239 1/20 0.49
BRD4 O60885 1/20 0.47
STAT3 P40763 4/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL3062264 0.94 STAT3 (0.54) SCN9ASCN7AKCNH2SCN10ASCN5A
SCHEMBL3056245 0.91 SCN9A (0.52) SCN9ASCN7AKCNH2SCN10ASCN5A
SCHEMBL3059426 0.90 MAPT (0.55) SCN9ARAB9AL3MBTL1GAANPC1
SCHEMBL3069414 0.89 SCN9A (0.48) SCN9ASCN7AKCNH2SCN10ASCN5A
SCHEMBL3046088 0.89 SCN9A (0.48) SCN9ASCN7AKCNH2SCN10ASCN5A
SCHEMBL3046083 0.89 SCN9A (0.48) SCN9ASCN7AKCNH2SCN10ASCN5A
SCHEMBL3059483 0.89 RAB9A (0.49) SCN9ARAB9AL3MBTL1GAANPC1
SCHEMBL3051577 0.88 SCN9A (0.48) SCN9ASCN7AKCNH2SCN10ASCN5A
SCHEMBL3062018 0.88 HRH3 (0.46) SCN9ASCN7AKCNH2SCN10ASCN5A
SCHEMBL3056834 0.88 SCN9A (0.50) SCN9ARAB9AL3MBTL1GAANPC1

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-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
EP-2207773-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF Otsuka Pharmaceutical Co., Ltd. (JP) 2010-07-21 EP disclosed
WO-2009057811-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 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 (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.