SCHEMBL3046701

SCHEMBL3046701

Cn1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc2cc(Oc3ncc(NC(=O)c4ccc(C(F)(F)F)cc4)cn3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 11/20 0.44
S1PR2 O95136 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
SCN9A Q15858 3/20 0.41
GPR119 Q8TDV5 1/20 0.40
SCN7A Q01118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3059483 0.91 RAB9A (0.49) STAT3MAPTSMN1; SMN2SCN9ARAB9A
SCHEMBL3054740 0.89 LGALS8 (0.39) S1PR2MAPTSMN1; SMN2
SCHEMBL3056245 0.88 SCN9A (0.52) STAT3SMN1; SMN2SCN9ASCN7A
SCHEMBL3050694 0.87 STAT3 (0.45) STAT3S1PR2MAPTSCN9A
SCHEMBL3069060 0.85 STAT3 (0.46) STAT3MAPTSMN1; SMN2SCN9A
SCHEMBL3050627 0.85 STAT3 (0.54) STAT3SCN9ARAB9A
SCHEMBL3059801 0.85 STAT3 (0.58) STAT3
SCHEMBL3061525 0.84 SCN9A (0.50) STAT3SCN9ASCN7A
SCHEMBL3063504 0.84 SCN9A (0.43) STAT3MAPTSCN9AGPR119
SCHEMBL3064956 0.84 SCN9A (0.51) STAT3SCN9A

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 STAT3 1499/4885S1PR2 3534/4885MAPT 4138/4885

“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.