SCHEMBL1242441

SCHEMBL1242441

OC(c1cccnc1)(c1cccnc1)C(c1ccccc1)N1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 13/20 1.00
KCNH2 Q12809 8/20 1.00
OPRD1 P41143 1/20 0.47
SLC6A4 P31645 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL1242084 0.88 KCNA5 (1.00) KCNA5KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL1243446 0.88 KCNA5 (1.00) KCNA5KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL1243260 0.86 KCNA5 (1.00) KCNA5KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL1243219 0.84 KCNA5 (0.78) KCNA5KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL1240366 0.84 KCNA5 (1.00) KCNA5KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL1242077 0.84 KCNA5 (0.72) KCNA5KCNH2
SCHEMBL1243115 0.83 KCNA5 (0.76) KCNA5KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL1242882 0.82 KCNA5 (0.75) KCNA5KCNH2
SCHEMBL1243118 0.82 KCNA5 (0.74) KCNA5KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL1242267 0.81 KCNA5 (0.87) KCNA5KCNH2CYP3A4CYP2D6CYP2C9

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 11/4885KCNH2 3/4885OPRD1 2892/4885

“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.