SCHEMBL884336

SCHEMBL884336

CN1CCN(c2ccc(-c3ccccc3CC(c3cccnc3)c3cccnc3)cn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.60
KCNH2 Q12809 3/20 0.58
HDAC8 Q9BY41 2/20 0.44
CHRM1 P11229 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CLK4 Q9HAZ1 1/20 0.42
FYN P06241 1/20 0.42
ATM Q13315 1/20 0.42
RET P07949 1/20 0.41
SLC1A2 P43004 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
SCHEMBL884779 0.88 KCNA5 (0.54) KCNA5KCNH2ALDH1A1CYP1A2CYP3A4
SCHEMBL884799 0.88 KCNA5 (0.52) KCNA5KCNH2ALDH1A1CYP1A2CYP3A4
SCHEMBL4979423 0.78 CYP3A4 (0.41) HDAC8ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL2063707 0.77 KCNA5 (1.00) KCNA5KCNH2TSHR
SCHEMBL884699 0.76 KCNA5 (0.73) KCNA5KCNH2
SCHEMBL884659 0.76 KCNA5 (0.68) KCNA5KCNH2
SCHEMBL884521 0.75 KCNA5 (0.67) KCNA5KCNH2CHRM1FYN
SCHEMBL2063186 0.75 KCNA5 (0.69) KCNA5KCNH2
SCHEMBL2062779 0.75 KCNA5 (1.00) KCNA5KCNH2TSHR
SCHEMBL885074 0.75 KCNA5 (0.81) 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 7 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
EP-1940406-A2 POTASSIUM CHANNEL INHIBITORS Merck and Co., Inc. (US) 2008-07-09 EP disclosed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO 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 3/4885HDAC8 900/4885

“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.