SCHEMBL884683

SCHEMBL884683

CCN(CC)C(=O)c1cccc(-c2cc(F)ccc2CC(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 12/20 0.70
KCNH2 Q12809 7/20 0.70
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
S1PR1 P21453 1/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
TRPV3 Q8NET8 1/20 0.38
NPY2R P49146 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DPP4 P27487 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 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
SCHEMBL885066 0.90 KCNA5 (0.85) KCNA5KCNH2AKR1C3AKR1C2DPP4
SCHEMBL884671 0.85 KCNA5 (0.66) KCNA5KCNH2DPP4
SCHEMBL2063585 0.82 KCNA5 (0.62) KCNA5KCNH2HPGDLMNATSHR
SCHEMBL2062791 0.81 KCNA5 (0.74) KCNA5KCNH2TSHRAKR1C3AKR1C2
SCHEMBL884688 0.81 KCNA5 (0.69) KCNA5KCNH2HPGDTSHRTDP1
SCHEMBL884851 0.80 KCNA5 (0.59) KCNA5KCNH2
SCHEMBL885105 0.80 KCNA5 (0.59) KCNA5KCNH2
SCHEMBL2063222 0.80 KCNA5 (0.72) KCNA5KCNH2AKR1C3AKR1C2
SCHEMBL884777 0.79 KCNA5 (0.73) KCNA5KCNH2LMNATSHR
SCHEMBL884608 0.78 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 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 3/4885HPGD 3730/4885

“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.