SCHEMBL885174

SCHEMBL885174

O=C(c1ccc(-c2cc(F)ccc2CC(c2cccnc2)c2cccnc2)cc1)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 0.52
KCNH2 Q12809 8/20 0.52
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
RIPK1 Q13546 1/20 0.43
GRM2 Q14416 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
EPHX2 P34913 1/20 0.41
NAMPT P43490 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
SCHEMBL885578 0.88 KCNA5 (0.59) KCNA5KCNH2RIPK1RAB9AMAPT
SCHEMBL884714 0.85 KCNA5 (0.57) KCNA5KCNH2
SCHEMBL2062539 0.84 KCNA5 (0.56) KCNA5KCNH2ABL1BCRRIPK1
SCHEMBL884640 0.81 KCNA5 (0.60) KCNA5KCNH2GRM2
SCHEMBL884948 0.81 KCNA5 (0.49) KCNA5KCNH2RIPK1
SCHEMBL884851 0.80 KCNA5 (0.59) KCNA5KCNH2ABL1BCR
SCHEMBL2063360 0.80 KCNA5 (0.71) KCNA5KCNH2
SCHEMBL884651 0.80 KCNA5 (0.64) KCNA5KCNH2RAB9A
SCHEMBL884898 0.79 KCNA5 (0.59) KCNA5KCNH2
SCHEMBL884688 0.79 KCNA5 (0.69) 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 3 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

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 3/4885ABL1 1710/4885

“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.