SCHEMBL1242336

SCHEMBL1242336

N#Cc1cccc(C(N2CCCC2)C(F)(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 0.54
KCNH2 Q12809 7/20 0.54
ALDH1A1 P00352 3/20 0.42
MGLL Q99685 1/20 0.41
CYP3A4 P08684 3/20 0.40
CYP3A5 P20815 2/20 0.40
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CRHBP P24387 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
CRHR2 Q13324 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
KCNN4 O15554 1/20 0.35
KLKB1 P03952 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
SCHEMBL1242822 0.89 KCNA5 (0.70) KCNA5KCNH2ALDH1A1MGLLCYP3A4
SCHEMBL1242361 0.87 KCNA5 (0.57) KCNA5KCNH2CYP3A4CYP3A5CYP2D6
SCHEMBL1242006 0.82 KCNA5 (0.73) KCNA5KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL1242825 0.79 KCNA5 (0.71) KCNA5KCNH2MGLLCYP3A4CYP3A5
SCHEMBL1242042 0.77 KCNA5 (0.54) KCNA5KCNH2ALDH1A1MGLLCYP3A4
SCHEMBL1242388 0.76 KCNA5 (0.49) KCNA5KCNH2CYP3A4CYP3A5CYP19A1
SCHEMBL1240753 0.76 KCNA5 (0.60) KCNA5KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL1243505 0.76 KCNA5 (0.57) KCNA5KCNH2CYP3A4CYP3A5CYP2D6
SCHEMBL1243037 0.76 KCNA5 (0.51) KCNA5KCNH2ALDH1A1
SCHEMBL1242816 0.74 KCNA5 (0.73) KCNA5KCNH2CYP3A4CYP2D6CYP2C9

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 3 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 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 11/4885KCNH2 3/4885ALDH1A1 2989/4885

“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.