SCHEMBL1808244

SCHEMBL1808244

Cc1cccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
HRH3 Q9Y5N1 4/20 0.48
EPHX2 P34913 2/20 0.47
SCD5 Q86SK9 1/20 0.47
CNR1 P21554 1/20 0.45
KCNH2 Q12809 2/20 0.45
HSD11B1 P28845 1/20 0.45
MCHR1 Q99705 1/20 0.45
HRH1 P35367 1/20 0.45
CCR3 P51677 1/20 0.45
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44

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
SCHEMBL1810046 0.87 ALDH1A1 (0.55) KMT2AHRH3EPHX2SCD5KCNH2
SCHEMBL1810121 0.87 EPHX2 (0.48) HRH3EPHX2SCD5CNR1KCNH2
SCHEMBL1805247 0.86 KCNK3 (0.50) HRH3EPHX2SCD5CNR1KCNH2
SCHEMBL1811813 0.86 EPHX2 (0.47) HRH3EPHX2SCD5CNR1KCNH2
SCHEMBL1810601 0.84 EPHX2 (0.47) HRH3EPHX2SCD5CNR1KCNH2
SCHEMBL1808780 0.84 KCNK3 (0.53) KMT2AHRH3EPHX2SCD5CNR1
SCHEMBL1810447 0.83 KCNH2 (0.47) KMT2AHRH3EPHX2SCD5CNR1
SCHEMBL1806531 0.83 MAPK1 (0.55) HRH3EPHX2SCD5CNR1GRIN2B
SCHEMBL1812104 0.82 NAMPT (0.60) HRH3EPHX2SCD5CNR1KCNH2
SCHEMBL1807905 0.82 PIM1 (0.45) KMT2AHRH3EPHX2SCD5CNR1

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 KMT2A 1032/4885HRH3 1010/4885EPHX2 2869/4885

“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.