SCHEMBL9902500

SCHEMBL9902500

CC(C)C(N1CCOCC1)C(O)(c1ccccc1)c1ccccn1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.74
KCNH2 Q12809 5/20 0.61
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CYP3A4 P08684 3/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
IDH1 O75874 1/20 0.40
CHRM3 P20309 1/20 0.40
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HIF1A Q16665 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL1240383 0.81 KCNA5 (0.75) KCNA5KCNH2MEN1KMT2ACYP3A4
SCHEMBL9902767 0.81 KCNA5 (0.93) KCNA5KCNH2MEN1KMT2ACYP3A4
SCHEMBL1242858 0.76 KCNA5 (1.00) KCNA5KCNH2CYP3A4CYP2C19CYP2D6
SCHEMBL16132367 0.74 SMN1; SMN2 (0.52) KCNH2MEN1KMT2ACYP3A4CYP2C19
SCHEMBL1242846 0.74 KCNA5 (0.83) KCNA5KCNH2MEN1KMT2ACYP3A4
SCHEMBL12890841 0.73 KCNA5 (0.62) KCNA5KCNH2MEN1KMT2ACYP3A4
SCHEMBL1242767 0.71 KCNA5 (0.54) KCNA5KCNH2MEN1KMT2ACYP3A4
SCHEMBL24700213 0.69 MEN1 (0.45) KCNA5KCNH2MEN1KMT2ACYP3A4
SCHEMBL1243557 0.69 KCNA5 (0.64) KCNA5KCNH2MEN1KMT2ACYP3A4
SCHEMBL12587920 0.68 KCNA5 (1.00) KCNA5KCNH2MEN1KMT2ACYP3A4

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 KCNA5 11/4885KCNH2 3/4885MEN1 2152/4885

“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.