SCHEMBL9903537

SCHEMBL9903537

OC[C@@H]1CCCN1C(c1ccccc1)C(O)(c1ccccc1)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.41
KCNA5 P22460 7/20 0.40
KCNH2 Q12809 5/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ABHD6 Q9BV23 2/20 0.38
DAGLA Q9Y4D2 2/20 0.38
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CHRM2 P08172 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
SCHEMBL9928473 0.89 CHRM3 (0.42) CHRM3KCNA5KCNH2MEN1KMT2A
SCHEMBL1243557 0.78 KCNA5 (0.64) CHRM3KCNA5KCNH2MEN1KMT2A
SCHEMBL1242847 0.74 KCNA5 (0.51) KCNA5KCNH2MEN1KMT2ACYP3A4
SCHEMBL1240383 0.72 KCNA5 (0.75) KCNA5KCNH2MEN1KMT2ACYP3A4
SCHEMBL1240448 0.72 KCNA5 (0.47) KCNA5KCNH2HTT
SCHEMBL1243324 0.70 KCNA5 (0.57) CHRM3KCNA5KCNH2CHRM2
SCHEMBL1243326 0.70 KCNA5 (0.57) CHRM3KCNA5KCNH2CHRM2
SCHEMBL24359355 0.70 KMT2A (0.46) MEN1KMT2ACYP2D6
SCHEMBL3451288 0.70 KMT2A (0.46) MEN1KMT2ACYP2D6
SCHEMBL4620185 0.68 KMT2A (0.43) CHRM3MEN1KMT2ACYP2D6

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
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-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
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 CHRM3 1073/4885KCNA5 11/4885KCNH2 3/4885

“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.