SCHEMBL1808366

SCHEMBL1808366

CS(=O)(=O)c1ccccc1-c1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.52
HRH1 P35367 2/20 0.49
CCR3 P51677 1/20 0.49
KMT2A Q03164 4/20 0.48
MGLL Q99685 4/20 0.47
LMNA P02545 1/20 0.47
CNR1 P21554 1/20 0.47
EPHX2 P34913 1/20 0.47
PRSS12 P56730 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 2/20 0.45
KCNH2 Q12809 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
SCHEMBL1805829 0.85 BCAT2 (0.48) HRH3HRH1CCR3KMT2AMGLL
SCHEMBL1807688 0.83 HRH3 (0.63) HRH3HRH1CCR3KMT2AMGLL
SCHEMBL1805900 0.82 KMT2A (0.53) HRH3KMT2AMGLLLMNACNR1
SCHEMBL1809877 0.82 MLNR (0.49) HRH3KMT2AMGLLLMNACNR1
SCHEMBL22196902 0.81 JAK3 (0.49) HRH3HRH1CCR3EPHX2
SCHEMBL1806630 0.81 HRH3 (0.64) HRH3KMT2AMGLLALDH1A1HTT
SCHEMBL1809727 0.81 HRH1 (0.59) HRH3HRH1CCR3KMT2AMGLL
SCHEMBL1808901 0.80 MGLL (0.63) HRH3HRH1CCR3KMT2AMGLL
SCHEMBL1807314 0.78 MGLL (0.58) HRH3KMT2AMGLLLMNAALDH1A1
SCHEMBL1809057 0.78 MGLL (0.73) HRH3KMT2AMGLLLMNAALDH1A1

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 819/4885CCR3 2942/4885

“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.