SCHEMBL12099488

SCHEMBL12099488

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.52
MGLL Q99685 3/20 0.52
HRH1 P35367 2/20 0.51
CCR3 P51677 2/20 0.51
F10 P00742 2/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.47
CACNA1B Q00975 1/20 0.46
MAPK7 Q13164 1/20 0.46
PRKAA2 P54646 2/20 0.44
SCN9A Q15858 1/20 0.44
EPHX2 P34913 1/20 0.44
EGLN1 Q9GZT9 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
SCHEMBL1810711 0.92 F10 (0.53) HSD11B1MGLLHRH1CCR3F10
SCHEMBL12169269 0.91 F10 (0.49) HSD11B1MGLLHRH1CCR3F10
SCHEMBL1808183 0.87 HSD11B1 (0.56) HSD11B1MGLLHRH1CCR3F10
SCHEMBL1809199 0.87 HSD11B1 (0.50) HSD11B1MGLLHRH1CCR3F10
SCHEMBL1807603 0.87 F10 (0.49) HSD11B1MGLLHRH1CCR3F10
SCHEMBL12099450 0.86 EPHX2 (0.44) HSD11B1MGLLHRH1CCR3GAA
SCHEMBL12099710 0.85 HSD11B1 (0.58) HSD11B1MGLLHRH1CCR3KMT2A
SCHEMBL1806197 0.85 F10 (0.51) HSD11B1MGLLF10PRKAA2SCN9A
SCHEMBL1806797 0.83 HSD11B1 (0.50) HSD11B1MGLLHRH1CCR3KMT2A
SCHEMBL1812070 0.83 HSD11B1 (0.56) HSD11B1MGLLHRH1CCR3F10

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 4 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
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

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 4513/4885HRH1 819/4885

“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.