SCHEMBL1809263

SCHEMBL1809263

NC(=O)c1cccc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.58
MGLL Q99685 4/20 0.57
OPRK1 P41145 3/20 0.54
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
CACNA1B Q00975 1/20 0.50
GAA P10253 1/20 0.49
HRH1 P35367 1/20 0.48
CCR3 P51677 1/20 0.48
MAPK7 Q13164 1/20 0.47
PARP10 Q53GL7 4/20 0.47
PARP14 Q460N5 3/20 0.47
SCN9A Q15858 1/20 0.45
ABHD6 Q9BV23 1/20 0.45

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
SCHEMBL1808768 0.92 HSD11B1 (0.56) HSD11B1MGLLOPRK1KMT2AMEN1
SCHEMBL1810221 0.88 HSD11B1 (0.52) HSD11B1MGLLOPRK1KMT2AMEN1
SCHEMBL1811152 0.87 EPHX2 (0.54) HSD11B1MGLLOPRK1KMT2AMEN1
SCHEMBL1812070 0.87 HSD11B1 (0.56) HSD11B1MGLLOPRK1KMT2AMEN1
SCHEMBL1807904 0.87 HSD11B1 (0.53) HSD11B1MGLLKMT2AMEN1CACNA1B
SCHEMBL1810008 0.86 SCN9A (0.60) HSD11B1MGLLKMT2AMEN1CACNA1B
SCHEMBL12099710 0.86 HSD11B1 (0.58) HSD11B1MGLLOPRK1KMT2AMEN1
SCHEMBL1807053 0.86 OPRK1 (0.53) HSD11B1OPRK1KMT2AMEN1GAA
SCHEMBL1807988 0.85 CACNA1B (0.56) HSD11B1MGLLKMT2AMEN1CACNA1B
SCHEMBL1808183 0.85 HSD11B1 (0.56) HSD11B1MGLLOPRK1KMT2AMEN1

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 4513/4885OPRK1 157/4885

“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.