SCHEMBL1807688

SCHEMBL1807688

CS(=O)(=O)c1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.63
HRH1 P35367 3/20 0.63
EPHX2 P34913 1/20 0.59
GPR119 Q8TDV5 1/20 0.56
CCR3 P51677 2/20 0.55
MGLL Q99685 2/20 0.54
KMT2A Q03164 3/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
MEN1 O00255 2/20 0.51
ADRB2 P07550 2/20 0.51
MAPT P10636 1/20 0.50
PRKAA2 P54646 1/20 0.50

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
SCHEMBL1806630 0.89 HRH3 (0.64) HRH3MGLLKMT2AMEN1ADRB2
SCHEMBL1806841 0.87 ALDH1A1 (0.55) HRH3HRH1CCR3MGLLKMT2A
SCHEMBL1809105 0.86 HRH1 (0.72) HRH3HRH1EPHX2GPR119CCR3
SCHEMBL1809727 0.86 HRH1 (0.59) HRH3HRH1EPHX2CCR3MGLL
SCHEMBL1809057 0.85 MGLL (0.73) HRH3MGLLKMT2AMEN1ADRB2
SCHEMBL1807314 0.85 MGLL (0.58) HRH3MGLLKMT2AMEN1ADRB2
SCHEMBL1808218 0.85 MGLL (0.66) HRH3HRH1CCR3MGLLKMT2A
SCHEMBL2331336 0.85 GPR119 (0.68) HRH3HRH1EPHX2GPR119CCR3
SCHEMBL1811365 0.84 MGLL (0.65) HRH3MGLLKMT2AMEN1ADRB2
SCHEMBL1806962 0.84 MAPT (0.59) HRH3HRH1EPHX2CCR3MGLL

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 HRH3 1010/4885HRH1 819/4885EPHX2 2869/4885

“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.