SCHEMBL1808183

SCHEMBL1808183

NCCOc1cccc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.56
MGLL Q99685 3/20 0.55
CACNA1B Q00975 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
HRH1 P35367 2/20 0.49
CCR3 P51677 2/20 0.49
MAPK7 Q13164 1/20 0.48
F10 P00742 1/20 0.45
OPRK1 P41145 2/20 0.44
SCN9A Q15858 1/20 0.44
PRKAA2 P54646 1/20 0.43

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
SCHEMBL12099710 0.92 HSD11B1 (0.58) HSD11B1MGLLCACNA1BKMT2AMEN1
SCHEMBL1812070 0.88 HSD11B1 (0.56) HSD11B1MGLLCACNA1BKMT2AMEN1
SCHEMBL12099488 0.87 HSD11B1 (0.52) HSD11B1MGLLCACNA1BKMT2AMEN1
SCHEMBL1810711 0.86 F10 (0.53) HSD11B1MGLLCACNA1BKMT2AMEN1
SCHEMBL12188790 0.86 KMT2A (0.53) MGLLKMT2AMEN1GAAHRH1
SCHEMBL1809263 0.85 HSD11B1 (0.58) HSD11B1MGLLCACNA1BKMT2AMEN1
SCHEMBL1809199 0.85 HSD11B1 (0.50) HSD11B1MGLLCACNA1BKMT2AMEN1
SCHEMBL1806797 0.85 HSD11B1 (0.50) HSD11B1MGLLCACNA1BKMT2AMEN1
SCHEMBL12169269 0.83 F10 (0.49) HSD11B1MGLLCACNA1BKMT2AMEN1
SCHEMBL1807603 0.83 F10 (0.49) HSD11B1MGLLCACNA1BKMT2AMEN1

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 HSD11B1 2985/4885MGLL 4513/4885CACNA1B 17/4885

“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.