SCHEMBL1806280

SCHEMBL1806280

Cn1cnc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.51
PIK3CA P42336 8/20 0.51
RBP4 P02753 1/20 0.49
KDM5A P29375 1/20 0.47
EPHX2 P34913 2/20 0.45
KCNH2 Q12809 2/20 0.45
MCHR1 Q99705 1/20 0.45
SCD5 Q86SK9 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
CNR1 P21554 1/20 0.43

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
SCHEMBL1811687 0.81 KCNH2 (0.48) PIK3CDPIK3CAEPHX2KCNH2MCHR1
SCHEMBL1809378 0.81 HRH3 (0.54) EPHX2KCNH2MCHR1SCD5HRH3
SCHEMBL1812104 0.80 NAMPT (0.60) EPHX2KCNH2MCHR1SCD5HRH3
SCHEMBL1810165 0.79 DRD3 (0.53) EPHX2KCNH2MCHR1HRH3CNR1
SCHEMBL1807416 0.79 HRH3 (0.50) EPHX2KCNH2MCHR1HRH3CNR1
SCHEMBL1809331 0.79 RBP4 (0.60) RBP4EPHX2KCNH2MCHR1SCD5
SCHEMBL1805820 0.78 EPHX2 (0.47) RBP4EPHX2KCNH2MCHR1SCD5
SCHEMBL1807305 0.78 KCNH2 (0.55) EPHX2KCNH2SCD5HRH3CNR1
SCHEMBL1809738 0.78 HRH3 (0.56) EPHX2KCNH2MCHR1SCD5HRH3
SCHEMBL1809713 0.78 NAMPT (0.62) RBP4EPHX2KCNH2MCHR1SCD5

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 PIK3CD 4159/4885PIK3CA 3488/4885RBP4 4761/4885

“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.