SCHEMBL3067772

SCHEMBL3067772

C[C@H]1CN(Cc2ccccn2)CCN1C(=O)c1cc2cc(Oc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cn3)ccc2n1C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.49
RAB9A P51151 2/20 0.44
MGLL Q99685 2/20 0.44
NPC1 O15118 1/20 0.44
TNF P01375 1/20 0.44
NOD1 Q9Y239 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.44
HIF1A Q16665 4/20 0.42
EPAS1 Q99814 4/20 0.42
STAT3 P40763 4/20 0.41
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40

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
SCHEMBL3064521 1.00 SCN9A (0.49) SCN9ARAB9AMGLLNPC1TNF
SCHEMBL3064516 1.00 SCN9A (0.49) SCN9ARAB9AMGLLNPC1TNF
SCHEMBL10181162 0.89 SCN9A (0.49) SCN9AMGLLSTAT3
SCHEMBL3708466 0.89 SCN9A (0.49) SCN9AMGLLSTAT3
SCHEMBL10181164 0.89 SCN9A (0.49) SCN9AMGLLSTAT3
SCHEMBL3057206 0.88 SCN9A (0.56) SCN9ARAB9ANPC1TNFNOD1
Oxalic Acid SCHEMBL3050859 0.87 STAT3 (0.50) MGLLHIF1AEPAS1STAT3
Oxalic Acid SCHEMBL3050863 0.87 STAT3 (0.50) MGLLHIF1AEPAS1STAT3
Oxalic Acid SCHEMBL3058185 0.87 STAT3 (0.50) MGLLHIF1AEPAS1STAT3
SCHEMBL3068127 0.85 SCN9A (0.59) SCN9ASTAT3

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 2502/4885MGLL 4848/4885

“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.