SCHEMBL1242771

SCHEMBL1242771

COc1cccc(C(N2CCCCC2)C(O)(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 10/20 0.69
KCNH2 Q12809 7/20 0.69
CHRNA1 P02708 1/20 0.45
CHRNG P07510 1/20 0.45
CHRNB1 P11230 1/20 0.45
CHRNB2 P17787 1/20 0.45
SLC6A2 P23975 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
SLC6A3 Q01959 1/20 0.45
CHRND Q07001 1/20 0.45
CYP3A4 P08684 1/20 0.44
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL1242913 0.99 KCNA5 (0.68) KCNA5KCNH2CHRNA1CHRNGCHRNB1
SCHEMBL1242405 0.88 KCNA5 (0.54) KCNA5KCNH2CYP3A4ABL1BCR
SCHEMBL1242285 0.88 KCNA5 (0.54) KCNA5KCNH2CYP3A4ABL1BCR
SCHEMBL1240407 0.88 KCNA5 (0.54) KCNA5KCNH2CYP3A4ABL1BCR
SCHEMBL1240066 0.87 KCNA5 (0.75) KCNA5KCNH2CYP3A4
SCHEMBL1242840 0.87 KCNA5 (0.64) KCNA5KCNH2CYP3A4ALDH1A1
SCHEMBL1242146 0.86 KCNA5 (0.52) KCNA5KCNH2CHRNA1CHRNGCHRNB1
SCHEMBL1242093 0.86 KCNA5 (0.52) KCNA5KCNH2CYP3A4ABL1BCR
SCHEMBL1243523 0.86 KCNA5 (0.65) KCNA5KCNH2SLC6A2
SCHEMBL1242240 0.86 KCNA5 (0.51) KCNA5KCNH2CYP3A4ABL1BCR

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 3/4885CHRNA1 360/4885

“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.