SCHEMBL1807447

SCHEMBL1807447

Cc1nc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cs1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 3/20 0.52
TRPC6 Q9Y210 3/20 0.52
KDM4E B2RXH2 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM3 P20309 1/20 0.47
SCD5 Q86SK9 1/20 0.46
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
HRH3 Q9Y5N1 1/20 0.43
GFER P55789 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
SCHEMBL1808834 0.86 KMT2A (0.52) TRPC3TRPC6CHRM2CHRM3SCD5
SCHEMBL1807091 0.81 RHOA (0.60) SCD5HRH1CCR3HRH3
SCHEMBL1808244 0.81 KMT2A (0.53) SCD5EPHX2KCNH2MCHR1HRH1
SCHEMBL1809063 0.80 KCNH2 (0.46) SCD5EPHX2KCNH2MCHR1HRH1
SCHEMBL1805820 0.80 EPHX2 (0.47) SCD5EPHX2KCNH2MCHR1HRH1
SCHEMBL1807243 0.80 ALDH1A1 (0.53) EPHX2KCNH2MCHR1HRH1CCR3
SCHEMBL1812104 0.79 NAMPT (0.60) TRPC6SCD5EPHX2KCNH2MCHR1
SCHEMBL1807416 0.78 HRH3 (0.50) TRPC6EPHX2KCNH2MCHR1HRH1
SCHEMBL1810192 0.78 CYP2D6 (0.63) SCD5EPHX2KCNH2MCHR1HRH3
SCHEMBL1809331 0.78 RBP4 (0.60) KDM4ESCD5EPHX2KCNH2MCHR1

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 TRPC3 37/4885TRPC6 54/4885KDM4E 1141/4885

“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.