SCHEMBL1243549

SCHEMBL1243549

N#Cc1cccc(C(C(c2cccnc2)c2cccnc2)N2CCCC2C(=O)Nc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
MGLL Q99685 2/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
TP53 P04637 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
ITGA2B P08514 1/20 0.41
LMNA P02545 1/20 0.40
KCNA5 P22460 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39
CCR5 P51681 1/20 0.38
VNN1 O95497 1/20 0.38
CYP3A4 P08684 1/20 0.37

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
SCHEMBL1243551 1.00 THRB (0.45) THRBMGLLHCRTR1HCRTR2TP53
SCHEMBL1243238 0.89 KCNA5 (0.43) THRBMGLLHCRTR1HCRTR2TP53
SCHEMBL1243234 0.89 KCNA5 (0.43) THRBMGLLHCRTR1HCRTR2TP53
SCHEMBL1242553 0.87 ACKR3 (0.41) THRBMGLLKCNA5ALDH1A1VNN1
SCHEMBL1242550 0.87 ACKR3 (0.41) THRBMGLLKCNA5ALDH1A1VNN1
SCHEMBL1243088 0.87 ACKR3 (0.40) THRBMGLLKCNA5ALDH1A1VNN1
SCHEMBL1243084 0.87 ACKR3 (0.40) THRBMGLLKCNA5ALDH1A1VNN1
SCHEMBL1240768 0.87 KCNA5 (0.42) THRBMGLLHCRTR1HCRTR2TP53
SCHEMBL1240765 0.87 KCNA5 (0.42) THRBMGLLHCRTR1HCRTR2TP53
SCHEMBL1241023 0.86 ACKR3 (0.43) MGLLKCNA5ALDH1A1VNN1CYP3A4

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 THRB 1940/4885MGLL 1647/4885HCRTR1 3541/4885

“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.