SCHEMBL1243559

SCHEMBL1243559

FC1(F)CCN(C(c2ccccc2)C(F)(c2cccnc2)c2cccnc2)C1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 10/20 0.51
KCNH2 Q12809 7/20 0.51
OPRM1 P35372 3/20 0.44
OPRD1 P41143 3/20 0.44
OPRK1 P41145 3/20 0.44
OPRL1 P41146 3/20 0.44
CYP19A1 P11511 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 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
SCHEMBL1240333 0.88 KCNA5 (0.67) KCNA5KCNH2OPRM1OPRD1OPRK1
SCHEMBL1242006 0.82 KCNA5 (0.73) KCNA5KCNH2OPRM1OPRD1OPRK1
SCHEMBL1241985 0.81 KCNA5 (0.57) KCNA5KCNH2OPRM1OPRD1OPRK1
SCHEMBL1243566 0.80 KCNA5 (0.54) KCNA5KCNH2OPRM1OPRD1OPRK1
SCHEMBL1243028 0.78 KCNA5 (0.54) KCNA5KCNH2CYP19A1
SCHEMBL1242799 0.78 KCNA5 (0.70) KCNA5KCNH2
SCHEMBL1243096 0.77 CYP19A1 (0.43) KCNA5KCNH2CYP19A1
SCHEMBL1242968 0.74 KCNA5 (0.49) KCNA5KCNH2CYP19A1
SCHEMBL1242011 0.74 KCNA5 (0.67) KCNA5KCNH2OPRM1OPRD1OPRK1
SCHEMBL1240580 0.74 KCNA5 (0.67) KCNA5KCNH2OPRM1OPRD1OPRK1

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.