SCHEMBL886764

SCHEMBL886764

CO[C@@H]1CCN(c2ncccc2CC(c2cccnc2)c2cccnc2)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 10/20 0.45
KCNH2 Q12809 4/20 0.42
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
PDE10A Q9Y233 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
GBA1 P04062 1/20 0.38
ADORA2A P29274 3/20 0.37
ADORA2B P29275 3/20 0.37
PDE1B Q01064 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL884458 1.00 KCNA5 (0.45) KCNA5KCNH2PDE3BPDE3APDE10A
SCHEMBL886777 0.84 KCNA5 (0.45) KCNA5KCNH2PDE10ASLC6A2SLC6A4
SCHEMBL2063860 0.84 KCNA5 (0.45) KCNA5KCNH2PDE10ASLC6A2SLC6A4
SCHEMBL884542 0.84 KCNA5 (0.45) KCNA5KCNH2PDE10ASLC6A2SLC6A4
SCHEMBL884941 0.83 KCNA5 (0.46) KCNA5KCNH2PDE10AGBA1
SCHEMBL884679 0.80 KCNA5 (0.43) KCNA5KCNH2SLC6A2SLC6A4GBA1
SCHEMBL884635 0.79 KCNA5 (0.51) KCNA5KCNH2SLC6A2SLC6A4
SCHEMBL884666 0.78 KCNA5 (0.50) KCNA5KCNH2SLC6A2SLC6A4
SCHEMBL884946 0.78 KCNA5 (0.41) KCNA5KCNH2PDE10ASLC6A2SLC6A4
SCHEMBL884252 0.76 KCNA5 (0.48) 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 3/4885PDE3B 1850/4885

“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.