SCHEMBL1807332

SCHEMBL1807332

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 6/20 0.52
ACACB O00763 1/20 0.47
SCN9A Q15858 2/20 0.45
KCNH2 Q12809 1/20 0.44
SCN5A Q14524 1/20 0.44
EPHX2 P34913 1/20 0.44
MGLL Q99685 2/20 0.44
HSD11B1 P28845 1/20 0.43
ADORA2A P29274 3/20 0.42
SCD5 Q86SK9 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
ABHD6 Q9BV23 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 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
SCHEMBL1811904 0.89 EPHX2 (0.51) PRKAA2ACACBSCN9AKCNH2SCN5A
SCHEMBL1807193 0.88 PRKAA2 (0.46) PRKAA2ACACBSCN9AADORA2ASCD5
SCHEMBL12188733 0.86 PRKAA2 (0.45) PRKAA2SCN9AADORA2ASCD5HRH3
SCHEMBL1809576 0.86 ACACB (0.46) PRKAA2ACACBSCN9AADORA2ASCD5
SCHEMBL1810730 0.84 HSD11B1 (0.47) PRKAA2SCN9AKCNH2EPHX2MGLL
SCHEMBL1806474 0.84 HSD11B1 (0.47) PRKAA2SCN9AEPHX2MGLLHSD11B1
SCHEMBL1809967 0.84 PRKAA2 (0.52) PRKAA2ACACBSCN9AKCNH2SCN5A
SCHEMBL1809113 0.83 SCN9A (0.47) PRKAA2SCN9AEPHX2MGLLHSD11B1
SCHEMBL1809330 0.83 PRKAA2 (0.48) PRKAA2ACACBSCN9AKCNH2SCN5A
SCHEMBL1811053 0.83 HSD11B1 (0.46) PRKAA2SCN9AEPHX2MGLLHSD11B1

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 7 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-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 3288/4885ACACB 3122/4885SCN9A 20/4885

“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.