SCHEMBL1806239

SCHEMBL1806239

CCOc1cccc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 3/20 0.47
SCN9A Q15858 5/20 0.47
EPHX2 P34913 1/20 0.44
MAPK7 Q13164 1/20 0.43
HSD11B1 P28845 1/20 0.43
MGLL Q99685 2/20 0.42
SCD5 Q86SK9 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
ABHD6 Q9BV23 1/20 0.41
RBP4 P02753 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 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
SCHEMBL1809113 0.89 SCN9A (0.47) PRKAA2SCN9AEPHX2MAPK7HSD11B1
SCHEMBL12188610 0.86 SCD5 (0.44) MGLLSCD5HRH3RBP4KCNK3
SCHEMBL12099705 0.85 PRKAA2 (0.54) PRKAA2SCN9AEPHX2MAPK7HSD11B1
SCHEMBL1810730 0.84 HSD11B1 (0.47) PRKAA2SCN9AEPHX2HSD11B1MGLL
SCHEMBL1806474 0.84 HSD11B1 (0.47) PRKAA2SCN9AEPHX2MAPK7HSD11B1
SCHEMBL1806631 0.83 PRKAA2 (0.45) PRKAA2SCN9AEPHX2HSD11B1MGLL
SCHEMBL1811053 0.83 HSD11B1 (0.46) PRKAA2SCN9AEPHX2MAPK7HSD11B1
SCHEMBL1808780 0.81 KCNK3 (0.53) SCN9AEPHX2SCD5HRH3KCNK3
SCHEMBL1807332 0.81 PRKAA2 (0.52) PRKAA2SCN9AEPHX2HSD11B1MGLL
SCHEMBL1806210 0.81 SCN9A (0.46) PRKAA2SCN9AEPHX2MAPK7HSD11B1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US claimed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US claimed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 WO claimed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B PRKAA2 3288/4885SCN9A 20/4885EPHX2 2869/4885

“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.