SCHEMBL1811053

SCHEMBL1811053

Nc1cccc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
MGLL Q99685 3/20 0.45
SCD5 Q86SK9 1/20 0.45
PRKAA2 P54646 3/20 0.45
SCN9A Q15858 2/20 0.44
ABHD6 Q9BV23 1/20 0.44
EPHX2 P34913 1/20 0.43
CACNA1B Q00975 1/20 0.42
HRH3 Q9Y5N1 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
NOTUM Q6P988 1/20 0.40
MAPK7 Q13164 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
SCHEMBL1810730 0.91 HSD11B1 (0.47) HSD11B1MGLLSCD5PRKAA2SCN9A
SCHEMBL1806474 0.88 HSD11B1 (0.47) HSD11B1MGLLSCD5PRKAA2SCN9A
SCHEMBL1806631 0.86 PRKAA2 (0.45) HSD11B1MGLLSCD5PRKAA2SCN9A
SCHEMBL1809113 0.86 SCN9A (0.47) HSD11B1MGLLSCD5PRKAA2SCN9A
SCHEMBL1806854 0.84 HSD11B1 (0.45) HSD11B1MGLLSCD5PRKAA2SCN9A
SCHEMBL1806239 0.83 PRKAA2 (0.47) HSD11B1MGLLSCD5PRKAA2SCN9A
SCHEMBL1807332 0.83 PRKAA2 (0.52) HSD11B1MGLLSCD5PRKAA2SCN9A
SCHEMBL1810226 0.81 HRH3 (0.47) PRKAA2SCN9AEPHX2HRH3
SCHEMBL1813141 0.81 PRKAA2 (0.46) HSD11B1MGLLPRKAA2SCN9AEPHX2
SCHEMBL1806210 0.81 SCN9A (0.46) HSD11B1MGLLSCD5PRKAA2SCN9A

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 10 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
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 HSD11B1 2985/4885MGLL 4513/4885SCD5 2324/4885

“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.