SCHEMBL1243604

SCHEMBL1243604

O=C1CN(C(c2cccc(Br)c2)C(c2cccnc2)c2cccnc2)CCO1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 4/20 0.36
POLB P06746 3/20 0.35
P2RX7 Q99572 2/20 0.35
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP11B1 P15538 4/20 0.34
KCNA5 P22460 3/20 0.34
CYP11B2 P19099 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP19A1 P11511 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL1242221 0.84 MGLL (0.42) ALDH1A1P2RX7CYP11B1KCNA5CYP11B2
SCHEMBL1242820 0.82 LMNA (0.40) LMNATHRBALDH1A1KDM4ECYP11B1
SCHEMBL1376909 0.80 LMNA (0.38) LMNATHRBALDH1A1KDM4ECYP11B1
SCHEMBL1376910 0.80 LMNA (0.38) LMNATHRBALDH1A1KDM4ECYP11B1
SCHEMBL1242226 0.76 KCNA5 (0.45) LMNATHRBALDH1A1POLBKDM4E
SCHEMBL1242224 0.75 MBTD1 (0.39) LMNATHRBALDH1A1CYP11B1KCNA5
SCHEMBL1240825 0.72 LMNA (0.39) LMNATHRBALDH1A1HSD17B10CYP11B1
SCHEMBL1242275 0.71 LMNA (0.40) LMNATHRBALDH1A1POLBKDM4E
SCHEMBL1240803 0.70 KCNA5 (0.52) THRBALDH1A1POLBP2RX7KDM4E
SCHEMBL1243292 0.70 POLB (0.54) LMNAALDH1A1POLBP2RX7KDM4E

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 10 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
JP-4719745-B2 2011-07-06 JP 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
EP-1781635-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-02-25 EP claimed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US claimed
EP-1781635-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-05-09 EP claimed
WO-2006015159-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO 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 LMNA 815/4885THRB 1940/4885ALDH1A1 2989/4885

“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.