SCHEMBL1242820

SCHEMBL1242820

O=C1CCN(C(c2cccc(Br)c2)C(c2cccnc2)c2cccnc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
THRB P10828 1/20 0.40
CYP11B1 P15538 7/20 0.37
CYP11B2 P19099 3/20 0.37
KCNA5 P22460 3/20 0.37
CYP19A1 P11511 4/20 0.37
KCNN4 O15554 1/20 0.36
CYP3A4 P08684 3/20 0.35
CYP3A5 P20815 3/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL1376909 0.86 LMNA (0.38) LMNATHRBCYP11B1CYP11B2KCNA5
SCHEMBL1376910 0.86 LMNA (0.38) LMNATHRBCYP11B1CYP11B2KCNA5
SCHEMBL1242330 0.83 MGLL (0.46) CYP11B1CYP11B2KCNA5CYP19A1ALDH1A1
SCHEMBL1242224 0.83 MBTD1 (0.39) LMNATHRBCYP11B1KCNA5CYP3A4
SCHEMBL1243604 0.82 LMNA (0.36) LMNATHRBCYP11B1CYP11B2KCNA5
SCHEMBL1240825 0.80 LMNA (0.39) LMNATHRBCYP11B1CYP11B2KCNA5
SCHEMBL1242276 0.79 LMNA (0.37) LMNATHRBKCNA5CYP3A4ALDH1A1
SCHEMBL1242278 0.79 LMNA (0.37) LMNATHRBKCNA5CYP3A4ALDH1A1
SCHEMBL1242275 0.78 LMNA (0.40) LMNATHRBKCNA5CYP3A4CYP3A5
SCHEMBL1242226 0.76 KCNA5 (0.45) LMNATHRBKCNA5CYP3A4ALDH1A1

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 LMNA 815/4885THRB 1940/4885CYP11B1 3290/4885

“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.