SCHEMBL1240569

SCHEMBL1240569

OC(c1cccnc1)(c1cccnc1)C(c1ccccc1Cl)N1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 12/20 0.70
KCNH2 Q12809 8/20 0.70
CYP3A4 P08684 1/20 0.42
CYP3A5 P20815 1/20 0.42
KDM4E B2RXH2 2/20 0.41
S1PR4 O95977 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
S1PR1 P21453 1/20 0.41
AGTR1 P30556 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
CYP19A1 P11511 1/20 0.40

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
SCHEMBL1242869 0.85 KCNA5 (0.70) KCNA5KCNH2KDM4E
SCHEMBL1243250 0.85 KCNA5 (0.70) KCNA5KCNH2CYP3A4KDM4EHTT
SCHEMBL1242158 0.85 KCNA5 (0.70) KCNA5KCNH2KDM4E
SCHEMBL1242141 0.83 KCNA5 (0.67) KCNA5KCNH2CYP3A4KDM4EALDH1A1
SCHEMBL1242084 0.83 KCNA5 (1.00) KCNA5KCNH2CYP3A4KDM4EHTT
SCHEMBL1243260 0.82 KCNA5 (1.00) KCNA5KCNH2CYP3A4KDM4EHTT
SCHEMBL1242138 0.81 KCNA5 (0.81) KCNA5KCNH2CYP3A4CYP3A5CYP19A1
SCHEMBL1243446 0.80 KCNA5 (1.00) KCNA5KCNH2CYP3A4KDM4EHTT
SCHEMBL1243647 0.80 KCNA5 (0.63) KCNA5KCNH2KDM4E
SCHEMBL1242854 0.80 KCNA5 (0.63) KCNA5KCNH2KDM4EKMT2A

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 3/4885CYP3A4 1526/4885

“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.