SCHEMBL1242012

SCHEMBL1242012

CN(C)C(=O)C1CCCN1C(c1cccc(C#N)c1)C(c1cccnc1)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.43
MGLL Q99685 1/20 0.41
USP30 Q70CQ3 4/20 0.39
UCHL1 P09936 3/20 0.39
VNN1 O95497 1/20 0.39
GRM5 P41594 1/20 0.35

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
SCHEMBL1242015 1.00 KCNA5 (0.43) KCNA5MGLLUSP30UCHL1VNN1
SCHEMBL1242883 0.87 KCNA5 (0.47) KCNA5MGLLUSP30VNN1
SCHEMBL1243238 0.87 KCNA5 (0.43) KCNA5MGLLUSP30VNN1
SCHEMBL1243234 0.87 KCNA5 (0.43) KCNA5MGLLUSP30VNN1
SCHEMBL1242881 0.87 KCNA5 (0.47) KCNA5MGLLUSP30VNN1
SCHEMBL1240847 0.86 KCNA5 (0.38) KCNA5MGLLUSP30UCHL1VNN1
SCHEMBL1240841 0.86 KCNA5 (0.38) KCNA5MGLLUSP30UCHL1VNN1
SCHEMBL1240768 0.86 KCNA5 (0.42) KCNA5MGLLUSP30VNN1
SCHEMBL1240765 0.86 KCNA5 (0.42) KCNA5MGLLUSP30VNN1
SCHEMBL1242553 0.84 ACKR3 (0.41) KCNA5MGLLVNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781635-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP claimed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US claimed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US claimed
EP-1781635-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 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 (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-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 KCNA5 11/4885MGLL 1647/4885USP30 3003/4885

“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.