SCHEMBL1240948

SCHEMBL1240948

N#Cc1cccc(C(C(c2cccnc2)c2cccnc2)N2CCC[C@H]2C(=O)NCCO)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.41
MGLL Q99685 2/20 0.39
F2 P00734 2/20 0.38
FKBP1A P62942 1/20 0.37
VNN1 O95497 1/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PRSS1 P07477 1/20 0.36
AADAT Q8N5Z0 1/20 0.36
HSD11B1 P28845 1/20 0.36
CCNK O75909 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
USP30 Q70CQ3 1/20 0.35
GFER P55789 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL1240942 1.00 KCNA5 (0.41) KCNA5MGLLF2FKBP1AVNN1
SCHEMBL1243064 0.91 FKBP1A (0.43) KCNA5MGLLF2FKBP1AVNN1
SCHEMBL1243066 0.91 FKBP1A (0.43) KCNA5MGLLF2FKBP1AVNN1
SCHEMBL1243642 0.89 KCNA5 (0.44) KCNA5MGLLF2VNN1THRB
SCHEMBL1243646 0.89 KCNA5 (0.44) KCNA5MGLLF2VNN1THRB
SCHEMBL1243238 0.88 KCNA5 (0.43) KCNA5MGLLF2VNN1THRB
SCHEMBL1243234 0.88 KCNA5 (0.43) KCNA5MGLLF2VNN1THRB
SCHEMBL1242553 0.86 ACKR3 (0.41) KCNA5MGLLFKBP1AVNN1THRB
SCHEMBL1240765 0.86 KCNA5 (0.42) KCNA5MGLLFKBP1AVNN1THRB
SCHEMBL1240768 0.86 KCNA5 (0.42) KCNA5MGLLFKBP1AVNN1THRB

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
EP-1781635-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 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-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 KCNA5 11/4885MGLL 1647/4885F2 4217/4885

“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.