SCHEMBL1808780

SCHEMBL1808780

CCOc1cccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.53
KCNK9 Q9NPC2 3/20 0.53
ACACB O00763 2/20 0.47
EPHX2 P34913 2/20 0.44
CNR1 P21554 1/20 0.44
KCNH2 Q12809 2/20 0.44
MCHR1 Q99705 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
POLB P06746 1/20 0.43
SCD5 Q86SK9 1/20 0.43
SCN9A Q15858 1/20 0.43
KMT2A Q03164 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
SCHEMBL1805247 0.88 KCNK3 (0.50) KCNK3KCNK9ACACBEPHX2CNR1
SCHEMBL12188610 0.84 SCD5 (0.44) KCNK3KCNK9ACACBHRH3SCD5
SCHEMBL1808244 0.84 KMT2A (0.53) EPHX2CNR1KCNH2MCHR1HRH3
SCHEMBL1810033 0.83 KCNK3 (0.59) KCNK3KCNK9EPHX2CNR1KCNH2
SCHEMBL1810046 0.82 ALDH1A1 (0.55) EPHX2KCNH2MCHR1HRH3SCD5
SCHEMBL1810121 0.82 EPHX2 (0.48) EPHX2CNR1KCNH2MCHR1HRH3
SCHEMBL1807212 0.82 KCNK3 (0.51) KCNK3KCNK9EPHX2POLBKMT2A
SCHEMBL1811813 0.81 EPHX2 (0.47) KCNK3KCNK9EPHX2CNR1KCNH2
SCHEMBL1806239 0.81 PRKAA2 (0.47) KCNK3KCNK9EPHX2HRH3SCD5
SCHEMBL1807241 0.80 HRH3 (0.54) ACACBKCNH2HRH3POLBKMT2A

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 KCNK3 128/4885KCNK9 151/4885ACACB 3122/4885

“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.