SCHEMBL1807446

SCHEMBL1807446

COc1cnc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.48
TRPC6 Q9Y210 2/20 0.47
MGLL Q99685 1/20 0.46
KCNH2 Q12809 1/20 0.46
MCHR1 Q99705 1/20 0.46
PRKAA2 P54646 2/20 0.44
HRH3 Q9Y5N1 3/20 0.44
CNR1 P21554 1/20 0.44
EPHX2 P34913 2/20 0.43
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
KMT2A Q03164 1/20 0.43
SCD5 Q86SK9 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL1812104 0.87 NAMPT (0.60) NAMPTTRPC6KCNH2MCHR1HRH3
SCHEMBL1810165 0.86 DRD3 (0.53) NAMPTTRPC6MGLLKCNH2MCHR1
SCHEMBL1806498 0.84 HRH3 (0.56) MGLLKCNH2PRKAA2HRH3PRKAB2
SCHEMBL1809378 0.83 HRH3 (0.54) NAMPTKCNH2MCHR1PRKAA2HRH3
SCHEMBL1805247 0.82 KCNK3 (0.50) MGLLKCNH2MCHR1HRH3CNR1
SCHEMBL1807416 0.82 HRH3 (0.50) NAMPTTRPC6KCNH2MCHR1PRKAA2
SCHEMBL12188658 0.82 PRKAA2 (0.46) NAMPTTRPC6PRKAA2HRH3SCD5
SCHEMBL1809588 0.81 HRH3 (0.51) TRPC6MGLLKCNH2MCHR1PRKAA2
SCHEMBL1809437 0.80 PROKR1 (0.56) MGLLKCNH2MCHR1HRH3EPHX2
SCHEMBL1807818 0.80 MGLL (0.53) MGLLKCNH2MCHR1PRKAA2HRH3

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 NAMPT 1067/4885TRPC6 54/4885MGLL 4513/4885

“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.