SCHEMBL1243096

SCHEMBL1243096

FC1(F)CN(C(c2cccc(Cl)c2)C(F)(c2cccnc2)c2cccnc2)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.43
KCNA5 P22460 6/20 0.39
KCNH2 Q12809 4/20 0.39
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CYP3A4 P08684 6/20 0.36
CYP3A5 P20815 6/20 0.36
CYP11B1 P15538 1/20 0.36
RORC P51449 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
SCHEMBL9903755 0.89 KCNA5 (0.52) CYP19A1KCNA5KCNH2CYP3A4CYP3A5
SCHEMBL1243559 0.77 KCNA5 (0.51) CYP19A1KCNA5KCNH2
SCHEMBL1242799 0.73 KCNA5 (0.70) KCNA5KCNH2CYP3A4
SCHEMBL1243278 0.73 KCNA5 (0.73) CYP19A1KCNA5KCNH2CYP11B1
SCHEMBL1242865 0.73 KCNA5 (0.49) CYP19A1KCNA5KCNH2CYP3A4
SCHEMBL1242318 0.72 ROCK2 (0.36) CYP19A1KCNA5KCNH2CYP3A4CYP3A5
SCHEMBL1241019 0.71 KCNA5 (0.58) CYP19A1KCNA5KCNH2CYP3A4
SCHEMBL1242473 0.70 GRM4 (0.36)
SCHEMBL1242006 0.70 KCNA5 (0.73) CYP19A1KCNA5KCNH2CYP3A4
SCHEMBL1243566 0.70 KCNA5 (0.54) CYP19A1KCNA5KCNH2SLC6A2SLC6A4

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 CYP19A1 4632/4885KCNA5 11/4885KCNH2 3/4885

“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.