SCHEMBL3069414

SCHEMBL3069414

C[C@@H]1CNCCN1C(=O)c1cc2cc(Oc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cn3)ccc2n1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.48
RAB9A P51151 2/20 0.47
SCN10A Q9Y5Y9 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 1/20 0.46
TNF P01375 1/20 0.46
NOD1 Q9Y239 1/20 0.46
BRD4 O60885 1/20 0.45
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SCN7A Q01118 1/20 0.43
KCNH2 Q12809 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN8A Q9UQD0 1/20 0.43
LIPE Q05469 2/20 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
SCHEMBL3046088 1.00 SCN9A (0.48) SCN9ARAB9ASCN10AL3MBTL1GAA
SCHEMBL3046083 1.00 SCN9A (0.48) SCN9ARAB9ASCN10AL3MBTL1GAA
SCHEMBL3051748 0.89 SCN9A (0.53) SCN9ARAB9ASCN10AL3MBTL1GAA
SCHEMBL3050547 0.87 SCN9A (0.48) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL3053260 0.87 SCN9A (0.48) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL3050551 0.87 SCN9A (0.48) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL3057029 0.84 RAB9A (0.45) SCN9ARAB9AL3MBTL1GAANPC1
SCHEMBL3057023 0.84 RAB9A (0.45) SCN9ARAB9AL3MBTL1GAANPC1
SCHEMBL3066307 0.84 RAB9A (0.45) SCN9ARAB9AL3MBTL1GAANPC1
SCHEMBL3056038 0.83 RAB9A (0.58) RAB9AL3MBTL1GAANPC1TNF

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 2616/4885RAB9A 2502/4885SCN10A 2006/4885

“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.