SCHEMBL3889488

SCHEMBL3889488

CC(=O)N1CCCC1C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 12/20 0.52
KCNH2 Q12809 8/20 0.52
LMNA P02545 1/20 0.39
PREP P48147 1/20 0.38
FAP Q12884 1/20 0.38

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
SCHEMBL3823590 0.91 KCNA5 (0.54) KCNA5KCNH2LMNA
SCHEMBL1379998 0.87 KCNA5 (0.47) KCNA5KCNH2LMNA
SCHEMBL15014675 0.84 KCNA5 (0.44) KCNA5KCNH2LMNA
SCHEMBL3889259 0.75 CHRNB4 (0.46) KCNA5KCNH2LMNA
SCHEMBL1242111 0.75 KCNA5 (0.61) KCNA5KCNH2
SCHEMBL28870246 0.73 SLC6A9 (0.43)
SCHEMBL18735973 0.72 POLB (0.46) KCNH2PREPFAP
SCHEMBL1243044 0.72 KCNA5 (0.71) KCNA5KCNH2
SCHEMBL3959424 0.71 KCNA5 (0.52) KCNA5KCNH2
SCHEMBL1243446 0.69 KCNA5 (1.00) KCNA5KCNH2

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-1776355-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-06-12 EP disclosed
EP-1776355-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-06-12 EP disclosed
US-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 US disclosed
US-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 US disclosed
US-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 US disclosed
US-20060030595-A1 (R)-N-{6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridin-2-yl}methanesulfonamide; cardiac arrhythmias MERCK SHARP & DOHME LLC 2006-02-09 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-20060030595-A1 (R)-N-{6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridin-2-yl}methanesulfonamide; cardiac arrhythmias KCNN2, KCNJ2, KCNH2 KCNA5 14/4885KCNH2 3/4885LMNA 319/4885

“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.