SCHEMBL884601

SCHEMBL884601

CN1CCC2(CCN(c3ncccc3CC(c3cccnc3)c3cccnc3)C2)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 13/20 0.43
KCNH2 Q12809 5/20 0.41
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 3/20 0.34
USP2 O75604 1/20 0.34
CYP3A4 P08684 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL884745 0.83 KCNA5 (0.44) KCNA5KCNH2CNR2
SCHEMBL884741 0.79 KCNA5 (0.43) KCNA5KCNH2CNR2
SCHEMBL884635 0.78 KCNA5 (0.51) KCNA5KCNH2SLC6A2SLC6A4ALDH1A1
SCHEMBL884510 0.78 KCNA5 (0.48) KCNA5KCNH2SLC6A2SLC6A4CNR2
SCHEMBL884666 0.77 KCNA5 (0.50) KCNA5KCNH2SLC6A2SLC6A4ALDH1A1
SCHEMBL884433 0.76 KCNA5 (0.46) KCNA5KCNH2CHRM1SLC6A2SLC6A4
SCHEMBL884734 0.75 KCNA5 (0.48) KCNA5KCNH2ALDH1A1
SCHEMBL884252 0.75 KCNA5 (0.48) KCNA5KCNH2SLC6A2SLC6A4
SCHEMBL2063860 0.73 KCNA5 (0.45) KCNA5KCNH2SLC6A2SLC6A4
SCHEMBL886777 0.73 KCNA5 (0.45) KCNA5KCNH2SLC6A2SLC6A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 US claimed
EP-1940406-A2 POTASSIUM CHANNEL INHIBITORS Merck and Co., Inc. (US) 2008-07-09 EP claimed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO claimed
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 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-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 KCNA5 11/4885KCNH2 3/4885CHRM1 3340/4885

“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.