SCHEMBL1243066

SCHEMBL1243066

CCCCNC(=O)[C@@H]1CCCN1C(c1cccc(C#N)c1)C(c1cccnc1)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 5/20 0.43
KCNA5 P22460 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 1/20 0.39
VNN1 O95497 1/20 0.38
MGLL Q99685 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
F2 P00734 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NAMPT P43490 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
SCHEMBL1243064 1.00 FKBP1A (0.43) FKBP1AKCNA5L3MBTL1ATMVNN1
SCHEMBL1240948 0.91 KCNA5 (0.41) FKBP1AKCNA5VNN1MGLLSMN1; SMN2
SCHEMBL1240942 0.91 KCNA5 (0.41) FKBP1AKCNA5VNN1MGLLSMN1; SMN2
SCHEMBL1243646 0.89 KCNA5 (0.44) KCNA5VNN1MGLLSMN1; SMN2F2
SCHEMBL1243642 0.89 KCNA5 (0.44) KCNA5VNN1MGLLSMN1; SMN2F2
SCHEMBL1243238 0.87 KCNA5 (0.43) KCNA5VNN1MGLLF2
SCHEMBL1243234 0.87 KCNA5 (0.43) KCNA5VNN1MGLLF2
SCHEMBL1240768 0.86 KCNA5 (0.42) FKBP1AKCNA5L3MBTL1VNN1MGLL
SCHEMBL1240765 0.86 KCNA5 (0.42) FKBP1AKCNA5L3MBTL1VNN1MGLL
SCHEMBL1242553 0.84 ACKR3 (0.41) FKBP1AKCNA5VNN1MGLLSMN1; SMN2

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 6 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 claimed
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 claimed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US claimed
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 FKBP1A 2540/4885KCNA5 11/4885L3MBTL1 519/4885

“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.