SCHEMBL1806210

SCHEMBL1806210

Cc1nc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)co1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.46
SCD5 Q86SK9 1/20 0.45
PRKAA2 P54646 3/20 0.45
HSD11B1 P28845 1/20 0.44
MGLL Q99685 2/20 0.43
HRH3 Q9Y5N1 2/20 0.42
CYP2D6 P10635 1/20 0.42
ABHD6 Q9BV23 1/20 0.42
EPHX2 P34913 1/20 0.42
CCKAR P32238 1/20 0.41
MAPK7 Q13164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ACACB O00763 1/20 0.40
SLC6A7 Q99884 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
SCHEMBL1806474 0.82 HSD11B1 (0.47) SCN9ASCD5PRKAA2HSD11B1MGLL
SCHEMBL1810730 0.82 HSD11B1 (0.47) SCN9ASCD5PRKAA2HSD11B1MGLL
SCHEMBL1809113 0.81 SCN9A (0.47) SCN9ASCD5PRKAA2HSD11B1MGLL
SCHEMBL1809578 0.81 MEN1 (0.47) SCN9ASCD5PRKAA2HSD11B1MGLL
SCHEMBL1808008 0.81 SCD5 (0.46) SCN9ASCD5PRKAA2HSD11B1MGLL
SCHEMBL1811053 0.81 HSD11B1 (0.46) SCN9ASCD5PRKAA2HSD11B1MGLL
SCHEMBL1806239 0.81 PRKAA2 (0.47) SCN9ASCD5PRKAA2HSD11B1MGLL
SCHEMBL1811385 0.79 RBP4 (0.53) SCN9APRKAA2CYP2D6
SCHEMBL1806631 0.79 PRKAA2 (0.45) SCN9ASCD5PRKAA2HSD11B1MGLL
SCHEMBL1807332 0.79 PRKAA2 (0.52) SCN9ASCD5PRKAA2HSD11B1MGLL

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 SCN9A 20/4885SCD5 2324/4885PRKAA2 3288/4885

“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.