SCHEMBL1243566

SCHEMBL1243566

FC(c1cccnc1)(c1cccnc1)C(c1ccccc1)N1CC=CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 10/20 0.54
KCNH2 Q12809 6/20 0.54
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
CYP19A1 P11511 1/20 0.40
CFTR P13569 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GOPC Q9HD26 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL1242006 0.86 KCNA5 (0.73) KCNA5KCNH2OPRM1OPRD1OPRK1
SCHEMBL1242882 0.84 KCNA5 (0.75) KCNA5KCNH2SMN1; SMN2
SCHEMBL1243559 0.80 KCNA5 (0.51) KCNA5KCNH2OPRM1OPRD1OPRK1
SCHEMBL1243505 0.75 KCNA5 (0.57) KCNA5KCNH2CYP19A1
SCHEMBL1240753 0.75 KCNA5 (0.60) KCNA5KCNH2CYP19A1
SCHEMBL1242361 0.72 KCNA5 (0.57) KCNA5KCNH2OPRD1CYP19A1
SCHEMBL1242271 0.72 KCNA5 (0.54) KCNA5KCNH2OPRM1SMN1; SMN2
SCHEMBL1242084 0.70 KCNA5 (1.00) KCNA5KCNH2
SCHEMBL1243446 0.70 KCNA5 (1.00) KCNA5KCNH2
SCHEMBL1243096 0.70 CYP19A1 (0.43) KCNA5KCNH2CYP19A1SLC6A2SLC6A4

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 3/4885OPRM1 3425/4885

“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.