SCHEMBL1242224

SCHEMBL1242224

OC1CCN(C(c2cccc(Br)c2)C(c2cccnc2)c2cccnc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
KCNA5 P22460 3/20 0.38
PIM1 P11309 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
CYP11B1 P15538 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 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
SCHEMBL1376909 0.84 LMNA (0.38) MBTD1L3MBTL3LMNATHRBKCNA5
SCHEMBL1376910 0.84 LMNA (0.38) MBTD1L3MBTL3LMNATHRBKCNA5
SCHEMBL1242278 0.84 LMNA (0.37) MBTD1L3MBTL3LMNATHRBKCNA5
SCHEMBL1242276 0.84 LMNA (0.37) MBTD1L3MBTL3LMNATHRBKCNA5
SCHEMBL1242820 0.83 LMNA (0.40) LMNATHRBKCNA5CYP1A2CYP3A4
SCHEMBL1242275 0.83 LMNA (0.40) MBTD1L3MBTL3LMNATHRBKCNA5
SCHEMBL1243604 0.75 LMNA (0.36) LMNATHRBKCNA5CYP3A4CYP2C19
SCHEMBL1242226 0.74 KCNA5 (0.45) LMNATHRBKCNA5CYP3A4CYP2C19
SCHEMBL1240825 0.74 LMNA (0.39) LMNATHRBKCNA5CYP11B1L3MBTL1
SCHEMBL1242284 0.71 KCNA5 (0.47) THRBKCNA5CYP3A4CYP2C19ALDH1A1

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 MBTD1 2557/4885L3MBTL3 1177/4885LMNA 815/4885

“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.