SCHEMBL1809545

SCHEMBL1809545

Cc1ncc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)s1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 3/20 0.45
SCN9A Q15858 1/20 0.44
HSD11B1 P28845 1/20 0.44
MGLL Q99685 2/20 0.43
ABL1 P00519 2/20 0.43
BCR P11274 2/20 0.43
MAPK7 Q13164 2/20 0.42
ABHD6 Q9BV23 1/20 0.42
SCD5 Q86SK9 1/20 0.41
TRPA1 O75762 1/20 0.41
ACACB O00763 1/20 0.40
SLC6A7 Q99884 1/20 0.40
PIM1 P11309 2/20 0.40
EPHX2 P34913 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
SCHEMBL1810523 0.82 SIGLEC9 (0.46) PRKAA2SCN9AHSD11B1MGLLMAPK7
SCHEMBL1806858 0.81 HSD11B1 (0.52) PRKAA2SCN9AHSD11B1MGLLABL1
SCHEMBL1808112 0.79 MAPK7 (0.45) PRKAA2SCN9AHSD11B1MGLLMAPK7
SCHEMBL1807491 0.78 KCNH2 (0.46) MGLLSCD5EPHX2
SCHEMBL1809872 0.78 PRKAA2 (0.49) PRKAA2SCN9AHSD11B1MGLLMAPK7
SCHEMBL1809926 0.78 MAPK7 (0.54) PRKAA2SCN9AHSD11B1MGLLMAPK7
SCHEMBL1808008 0.77 SCD5 (0.46) PRKAA2SCN9AHSD11B1MGLLMAPK7
SCHEMBL1809425 0.77 MGLL (0.45) PRKAA2SCN9AHSD11B1MGLLMAPK7
SCHEMBL1809578 0.77 MEN1 (0.47) PRKAA2SCN9AHSD11B1MGLLABHD6
SCHEMBL1811385 0.77 RBP4 (0.53) PRKAA2SCN9A

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 PRKAA2 3288/4885SCN9A 20/4885HSD11B1 2985/4885

“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.