SCHEMBL1806222

SCHEMBL1806222

Cn1cc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c2cccnc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
ALDH1A1 P00352 3/20 0.43
HTT P42858 1/20 0.43
EPHX2 P34913 2/20 0.42
CHRM2 P08172 1/20 0.41
CYP2C19 P33261 1/20 0.41
MGLL Q99685 2/20 0.41
CNR1 P21554 1/20 0.41
KCNH2 Q12809 1/20 0.41
MCHR1 Q99705 1/20 0.41
HRH1 P35367 1/20 0.40
CCR3 P51677 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 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
SCHEMBL1811335 0.83 TPSAB1 (0.51) POLBEPHX2MGLLHRH1CCR3
SCHEMBL1805319 0.82 CNR1 (0.47) POLBALDH1A1HTTEPHX2MGLL
SCHEMBL1809963 0.81 POLB (0.56) POLBALDH1A1HTTEPHX2CHRM2
SCHEMBL1809758 0.81 CHRM2 (0.58) POLBALDH1A1HTTEPHX2CHRM2
SCHEMBL1809211 0.79 EPHX2 (0.47) EPHX2CNR1HRH1CCR3
SCHEMBL1807927 0.79 EPHX2 (0.47) EPHX2CNR1HRH1CCR3
SCHEMBL1808905 0.79 EPHX2 (0.45) ALDH1A1EPHX2MGLLCNR1HRH1
SCHEMBL1810366 0.79 HRH1 (0.51) POLBALDH1A1HTTEPHX2HRH1
SCHEMBL1810933 0.78 PDE4B (0.45) POLBALDH1A1HTTEPHX2CNR1
SCHEMBL1806283 0.78 CNR1 (0.46) EPHX2MGLLCNR1HRH1CCR3

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 POLB 4291/4885ALDH1A1 787/4885HTT 956/4885

“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.