SCHEMBL1243093

SCHEMBL1243093

N#Cc1cccc(C(C(c2cccnc2)c2cccnc2)N2CCCC2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.42
CYP11B1 P15538 8/20 0.41
CYP11B2 P19099 6/20 0.41
CYP19A1 P11511 3/20 0.40
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
VNN1 O95497 1/20 0.38
KCNA5 P22460 4/20 0.38
KCNH2 Q12809 2/20 0.38
ALOX5 P09917 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL1243070 0.84 MGLL (0.40) MGLLCYP11B1CYP11B2CYP19A1TSHR
SCHEMBL1382310 0.84 CYP3A4 (0.39) MGLLCYP11B1CYP11B2TSHRNPSR1
SCHEMBL1242330 0.82 MGLL (0.46) MGLLCYP11B1CYP11B2CYP19A1VNN1
SCHEMBL1242105 0.82 MGLL (0.41) MGLLCYP11B1CYP11B2CYP19A1VNN1
SCHEMBL1242929 0.80 KCNA5 (0.40) MGLLCYP11B1CYP11B2CYP19A1VNN1
SCHEMBL1242199 0.78 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1TSHRNPSR1
SCHEMBL1240967 0.77 MGLL (0.46) MGLLCYP11B1CYP11B2CYP19A1VNN1
SCHEMBL1242039 0.76 KCNA5 (0.45) MGLLCYP19A1TSHRKCNA5KCNH2
SCHEMBL1243334 0.76 KCNA5 (0.45) MGLLCYP19A1TSHRKCNA5KCNH2
SCHEMBL1242037 0.76 KCNA5 (0.45) MGLLCYP19A1TSHRKCNA5KCNH2

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 MGLL 1647/4885CYP11B1 3290/4885CYP11B2 2950/4885

“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.