SCHEMBL1809330

SCHEMBL1809330

CC(=O)Nc1cc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)n(C)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 5/20 0.48
ACACB O00763 1/20 0.43
ADORA2A P29274 4/20 0.43
SCN9A Q15858 3/20 0.42
KCNH2 Q12809 1/20 0.41
SCN5A Q14524 1/20 0.41
HSD11B1 P28845 1/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
MGLL Q99685 2/20 0.41
FASN P49327 1/20 0.40
ABHD6 Q9BV23 1/20 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
SCHEMBL12188651 0.87 ADORA2A (0.45) PRKAA2ADORA2AFASN
SCHEMBL1809425 0.86 MGLL (0.45) PRKAA2ACACBSCN9AHSD11B1MGLL
SCHEMBL1807332 0.83 PRKAA2 (0.52) PRKAA2ACACBADORA2ASCN9AKCNH2
SCHEMBL1809967 0.83 PRKAA2 (0.52) PRKAA2ACACBSCN9AKCNH2SCN5A
SCHEMBL1806956 0.78 PRKAA2 (0.49) PRKAA2ACACBSCN9AKCNH2SCN5A
SCHEMBL1811257 0.78 PRKAA2 (0.49) PRKAA2ACACBSCN9AKCNH2SCN5A
SCHEMBL1808027 0.76 HSD11B1 (0.45) PRKAA2SCN9AHSD11B1MGLLABHD6
SCHEMBL1808242 0.74 MEN1 (0.51) MGLLABHD6EPHX2
SCHEMBL1811385 0.74 RBP4 (0.53) PRKAA2SCN9AKCNH2
SCHEMBL12100031 0.74 HSD11B1 (0.49) PRKAA2SCN9AHSD11B1MGLLEPHX2

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 3288/4885ACACB 3122/4885ADORA2A 683/4885

“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.