SCHEMBL1809588

SCHEMBL1809588

Nc1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.51
PRKAA2 P54646 8/20 0.49
PRKAB2 O43741 2/20 0.49
PRKAG1 P54619 2/20 0.49
PRKAA1 Q13131 2/20 0.49
PRKAG3 Q9UGI9 2/20 0.49
PRKAG2 Q9UGJ0 2/20 0.49
PRKAB1 Q9Y478 2/20 0.49
TRPC6 Q9Y210 2/20 0.47
EPHX2 P34913 2/20 0.46
CYP3A4 P08684 1/20 0.46
CNR1 P21554 1/20 0.46
KCNH2 Q12809 1/20 0.46
MCHR1 Q99705 1/20 0.46
MGLL Q99685 1/20 0.45
SCD5 Q86SK9 1/20 0.45

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
SCHEMBL1809378 0.91 HRH3 (0.54) HRH3PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL1810165 0.87 DRD3 (0.53) HRH3PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL1807888 0.87 HRH3 (0.50) HRH3PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL1807416 0.87 HRH3 (0.50) HRH3PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL1809508 0.84 PRKAA2 (0.53) HRH3PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL1812104 0.83 NAMPT (0.60) HRH3TRPC6EPHX2CNR1KCNH2
SCHEMBL1809833 0.82 PRKAA2 (0.60) HRH3PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL1811813 0.82 EPHX2 (0.47) HRH3TRPC6EPHX2CNR1KCNH2
SCHEMBL1809331 0.82 RBP4 (0.60) EPHX2CNR1KCNH2MCHR1SCD5
SCHEMBL1809956 0.81 SCD5 (0.51) HRH3TRPC6EPHX2CNR1KCNH2

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 HRH3 1010/4885PRKAA2 3288/4885PRKAB2 3969/4885

“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.