SCHEMBL1809976

SCHEMBL1809976

NC(=O)c1cc(C(=O)N2CCC(Oc3cccc(OCC(F)(F)F)c3)CC2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
KMT2A Q03164 2/20 0.45
HRH1 P35367 2/20 0.45
CCR3 P51677 2/20 0.45
MEN1 O00255 1/20 0.45
MMP13 P45452 1/20 0.44
OPRK1 P41145 3/20 0.44
MGLL Q99685 2/20 0.42
KCNH2 Q12809 1/20 0.42
SCD5 Q86SK9 1/20 0.40
SCD O00767 1/20 0.40
SCN9A Q15858 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
SCHEMBL1807053 0.89 OPRK1 (0.53) GAAKMT2AHRH1CCR3MEN1
SCHEMBL1810221 0.88 HSD11B1 (0.52) GAAKMT2AMEN1OPRK1MGLL
SCHEMBL1806770 0.88 EPHX2 (0.51) KMT2AMEN1MGLL
SCHEMBL1812092 0.88 OPRK1 (0.49) GAAKMT2AHRH1CCR3MEN1
SCHEMBL1807570 0.85 HRH1 (0.54) GAAKMT2AHRH1CCR3MEN1
SCHEMBL12188750 0.84 KMT2A (0.49) GAAKMT2AHRH1CCR3MEN1
SCHEMBL1809714 0.83 PRKAA2 (0.44) GAAKMT2AHRH1CCR3MEN1
SCHEMBL1809629 0.82 HRH1 (0.49) GAAKMT2AHRH1CCR3MEN1
SCHEMBL1809543 0.80 MMP13 (0.52) GAAKMT2AHRH1CCR3MEN1
SCHEMBL1810459 0.80 HRH1 (0.60) GAAKMT2AHRH1CCR3MEN1

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 10 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
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 GAA 1906/4885KMT2A 1032/4885HRH1 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.