SCHEMBL1242037

SCHEMBL1242037

N#Cc1cccc([C@@H](C(c2cccnc2)c2cccnc2)N2CCOCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.45
MGLL Q99685 1/20 0.44
PDE4D Q08499 1/20 0.43
CYP19A1 P11511 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KCNH2 Q12809 3/20 0.42
KDM4E B2RXH2 3/20 0.40
POLB P06746 3/20 0.40
HSD17B10 Q99714 1/20 0.40
SOS1 Q07889 2/20 0.39
TSHR P16473 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL1243334 1.00 KCNA5 (0.45) KCNA5MGLLPDE4DCYP19A1ALDH1A1
SCHEMBL1242039 1.00 KCNA5 (0.45) KCNA5MGLLPDE4DCYP19A1ALDH1A1
SCHEMBL1242330 0.85 MGLL (0.46) KCNA5MGLLCYP19A1ALDH1A1KCNH2
SCHEMBL1242221 0.85 MGLL (0.42) KCNA5MGLLCYP19A1ALDH1A1KCNH2
SCHEMBL1242356 0.84 MGLL (0.42) KCNA5MGLLCYP19A1ALDH1A1KCNH2
SCHEMBL1240803 0.84 KCNA5 (0.52) KCNA5ALDH1A1KCNH2KDM4EPOLB
SCHEMBL1242284 0.82 KCNA5 (0.47) KCNA5ALDH1A1KCNH2KDM4EPOLB
SCHEMBL1243292 0.82 POLB (0.54) KCNA5CYP19A1ALDH1A1KCNH2KDM4E
SCHEMBL1242105 0.80 MGLL (0.41) KCNA5MGLLCYP19A1ALDH1A1KCNH2
SCHEMBL9928504 0.80 KCNA5 (0.46) KCNA5ALDH1A1KCNH2KDM4EPOLB

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 1647/4885PDE4D 2352/4885

“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.