SCHEMBL1806491

SCHEMBL1806491

O=C(c1cccc2nnsc12)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.46
CNR1 P21554 5/20 0.44
KCNH2 Q12809 1/20 0.44
MCHR1 Q99705 1/20 0.44
HRH1 P35367 1/20 0.43
CCR3 P51677 1/20 0.43
PRSS12 P56730 1/20 0.41
SCD5 Q86SK9 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MGLL Q99685 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL1806650 0.80 CCKBR (0.51) EPHX2CNR1KCNH2MCHR1HRH1
SCHEMBL1808195 0.79 NPSR1 (0.46) EPHX2CNR1KCNH2MCHR1HRH1
SCHEMBL1809758 0.78 CHRM2 (0.58) EPHX2CNR1HRH1CCR3ALDH1A1
SCHEMBL12100024 0.77 EPHX2 (0.44) EPHX2CNR1KCNH2MCHR1HRH1
SCHEMBL1808176 0.77 HRH1 (0.53) EPHX2CNR1HRH1CCR3MGLL
SCHEMBL1809962 0.76 MGLL (0.64) EPHX2CNR1HRH1CCR3SCD5
SCHEMBL1806527 0.76 CCR3 (0.52) EPHX2CNR1KCNH2MCHR1HRH1
SCHEMBL1807948 0.76 EPHX2 (0.44) EPHX2CNR1KCNH2MCHR1HRH1
SCHEMBL1809266 0.75 MGLL (0.52) EPHX2HRH1CCR3HRH3MGLL
SCHEMBL1807328 0.75 MGLL (0.67) EPHX2CNR1HRH1CCR3HRH3

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 EPHX2 2869/4885CNR1 149/4885KCNH2 42/4885

“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.