SCHEMBL3889259

SCHEMBL3889259

CN1CCCC1C(c1ccc(F)cc1)C(O)(c1cccnc1)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 5/20 0.46
CHRNA3 P32297 5/20 0.46
CHRNB2 P17787 5/20 0.46
CHRNA4 P43681 5/20 0.46
KCNA5 P22460 9/20 0.45
KCNH2 Q12809 6/20 0.45
CHRNA7 P36544 4/20 0.41
ALDH1A1 P00352 2/20 0.41
CHRNA2 Q15822 2/20 0.41
CHRNA1 P02708 2/20 0.41
CHRNB1 P11230 2/20 0.41
CHRNB3 Q05901 2/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
PSIP1 O75475 1/20 0.41
TRPA1 O75762 1/20 0.41
HTR3B O95264 1/20 0.41
CHRNG P07510 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL3889488 0.75 KCNA5 (0.52) KCNA5KCNH2LMNA
SCHEMBL3823590 0.75 KCNA5 (0.54) KCNA5KCNH2LMNAKDM4E
SCHEMBL1242035 0.74 KCNA5 (0.43) KCNA5KCNH2
SCHEMBL1242863 0.73 KCNA5 (0.81) KCNA5KCNH2KDM4E
SCHEMBL1242847 0.72 KCNA5 (0.51) KCNA5KCNH2
SCHEMBL1241166 0.72 KCNA5 (0.81) KCNA5KCNH2
SCHEMBL1379998 0.72 KCNA5 (0.47) KCNA5KCNH2LMNA
SCHEMBL1242052 0.70 KCNA5 (0.57) KCNA5KCNH2
SCHEMBL1243333 0.70 KCNA5 (0.50) KCNA5KCNH2LMNAMAPT
SCHEMBL1243055 0.69 KCNA5 (0.75) 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 CHRNB4 1126/4885CHRNA3 732/4885CHRNB2 799/4885

“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.