SCHEMBL2880047

SCHEMBL2880047

COc1ccc(CCCN2C(=O)N(N)CC2c2ccccc2OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 0.51
KCNH2 Q12809 9/20 0.51
SIGMAR1 Q99720 1/20 0.44
OPRM1 P35372 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
KCNA3 P22001 1/20 0.43
CACNA1D Q01668 1/20 0.43
KCNA1 Q09470 1/20 0.43
KCND3 Q9UK17 1/20 0.43
HCRTR1 O43613 4/20 0.42
HCRTR2 O43614 4/20 0.42
OPRK1 P41145 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD11B1 P28845 1/20 0.40

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
SCHEMBL2879806 0.85 KCNA5 (0.62) KCNA5KCNH2SIGMAR1OPRM1CYP3A4
SCHEMBL2880045 0.84 KCNA5 (0.69) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2886322 0.84 KCNA5 (0.75) KCNA5KCNH2OPRM1CYP3A4CYP2C9
SCHEMBL2879362 0.83 KCNA5 (0.62) KCNA5KCNH2SIGMAR1OPRM1CYP3A4
SCHEMBL2884421 0.81 KCNA5 (0.44) KCNA5KCNH2SIGMAR1OPRM1CYP3A4
SCHEMBL2884924 0.79 KCNA5 (0.62) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2885134 0.77 KCNA5 (0.60) KCNA5KCNH2SIGMAR1CYP3A4CYP2C9
SCHEMBL2882893 0.77 KCNA5 (0.67) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2882137 0.77 KCNA5 (0.67) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2887771 0.73 KCNA5 (0.74) KCNA5KCNH2SIGMAR1OPRM1CYP3A4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803827-B2 1-N-amino-2-imidazolidinones and derivatives thereof which are effective as Kv1.5 potassium channel inhibitors providing atrial-selective antiarrhythmic agents; 1-(aminosulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-(3,4-dimethylphenyl)-2-imidazolidinone WYETH LLC (US) 2010-09-28 US claimed
EP-2035392-A1 IMIDAZOLE KV1. 5 POTASSIUM CHANNEL INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-03-18 EP claimed
US-20090069342-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2009-03-12 US claimed
US-20070299120-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 US claimed
WO-2007149874-A1 IMIDAZOLIDINONE KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 WO claimed
US-7803827-B2 1-N-amino-2-imidazolidinones and derivatives thereof which are effective as Kv1.5 potassium channel inhibitors providing atrial-selective antiarrhythmic agents; 1-(aminosulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-(3,4-dimethylphenyl)-2-imidazolidinone WYETH LLC (US) 2010-09-28 US disclosed
US-7504517-B2 Kv1.5 potassium channel inhibitors WYETH (US) 2009-03-17 US disclosed
US-20090069342-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2009-03-12 US disclosed
US-20070299120-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 US 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 (2 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-20070299120-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNJ2, KCNK5, KCNH2 KCNA5 5/4885KCNH2 3/4885SIGMAR1 4450/4885
US-20090069342-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNJ2, KCNK5, KCNH2 KCNA5 5/4885KCNH2 3/4885SIGMAR1 4450/4885

“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.