SCHEMBL4682880

SCHEMBL4682880

C=CCOCC(CC)(COCC=C)C(NC(=O)c1ccc(Cl)cc1)NC(=NC#N)Nc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 15/20 0.54
ABCC9 O60706 14/20 0.54
ABCC8 Q09428 10/20 0.54
KCNJ8 Q15842 10/20 0.54
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
NAMPT P43490 2/20 0.41

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
SCHEMBL4682877 1.00 KCNJ11 (0.54) KCNJ11ABCC9ABCC8KCNJ8CYP11B1
SCHEMBL4682840 0.87 ABCC9 (0.51) KCNJ11ABCC9ABCC8KCNJ8CYP11B1
SCHEMBL4682841 0.87 ABCC9 (0.51) KCNJ11ABCC9ABCC8KCNJ8CYP11B1
SCHEMBL4681698 0.84 ABCC9 (0.71) KCNJ11ABCC9ABCC8KCNJ8CYP11B1
SCHEMBL4681701 0.84 ABCC9 (0.71) KCNJ11ABCC9ABCC8KCNJ8CYP11B1
SCHEMBL4681788 0.84 KCNJ11 (0.70) KCNJ11ABCC9ABCC8KCNJ8CYP11B1
SCHEMBL4685600 0.84 KCNJ11 (0.70) KCNJ11ABCC9ABCC8KCNJ8CYP11B1
SCHEMBL4679472 0.81 KCNJ11 (0.69) KCNJ11ABCC9ABCC8KCNJ8CYP11B1
SCHEMBL4679477 0.81 KCNJ11 (0.69) KCNJ11ABCC9ABCC8KCNJ8CYP11B1
SCHEMBL4266846 0.81 KCNJ11 (0.67) KCNJ11ABCC9ABCC8KCNJ8CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP claimed
US-6645968-B2 E.g., N-(1-((anilinocarbonyl)amino)-2,2,2-trichloroethyl)-4-methyl-benzamide; antiepileptic, -ischemic and cardiotonic agents; sexual, eating and urogenital disorders; asthma; migraines; ABBOTT LABORATORIES 2003-11-11 US claimed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 US claimed
EP-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 EP disclosed
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP disclosed
EP-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 EP disclosed
US-6645968-B2 E.g., N-(1-((anilinocarbonyl)amino)-2,2,2-trichloroethyl)-4-methyl-benzamide; antiepileptic, -ischemic and cardiotonic agents; sexual, eating and urogenital disorders; asthma; migraines; ABBOTT LABORATORIES 2003-11-11 US disclosed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed
EP-1198456-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-24 EP disclosed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 US disclosed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 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-20020028836-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 KCNJ11 2/4885ABCC9 359/4885ABCC8 451/4885

“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.