SCHEMBL1807948

SCHEMBL1807948

O=C(c1cccc2[nH]nnc12)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.44
KCNH2 Q12809 1/20 0.44
MCHR1 Q99705 1/20 0.44
HRH1 P35367 1/20 0.44
CCR3 P51677 1/20 0.44
CNR1 P21554 3/20 0.44
FPR2 P25090 1/20 0.42
PROKR1 Q8TCW9 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MGLL Q99685 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
MLNR O43193 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
SCHEMBL1806537 0.83 CHRM2 (0.47) EPHX2KCNH2MCHR1HRH1CCR3
SCHEMBL1808195 0.80 NPSR1 (0.46) EPHX2KCNH2MCHR1HRH1CCR3
SCHEMBL1807921 0.80 CHRM2 (0.58) EPHX2HRH1CCR3CNR1ALDH1A1
SCHEMBL1806650 0.79 CCKBR (0.51) EPHX2KCNH2MCHR1HRH1CCR3
SCHEMBL1807744 0.78 MGLL (0.56) EPHX2HRH1CCR3MGLL
SCHEMBL1808176 0.78 HRH1 (0.53) EPHX2HRH1CCR3CNR1MGLL
SCHEMBL1809962 0.77 MGLL (0.64) EPHX2HRH1CCR3CNR1MGLL
SCHEMBL1809963 0.77 POLB (0.56) EPHX2HRH1CCR3FPR2PROKR1
SCHEMBL1807299 0.76 HRH1 (0.48) EPHX2HRH1CCR3GRIN2DGRIN3B
SCHEMBL1806491 0.76 EPHX2 (0.46) EPHX2KCNH2MCHR1HRH1CCR3

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 2869/4885KCNH2 42/4885MCHR1 2626/4885

“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.