SCHEMBL1243724

SCHEMBL1243724

O=C(CCCn1ncccc1=O)N[C@H](c1ccc(F)cc1)C(O)(c1cccnc1)c1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
PRCP P42785 1/20 0.35
EPHX2 P34913 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
DRD3 P35462 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34
KCNH2 Q12809 4/20 0.34
MCHR1 Q99705 1/20 0.34
LMNA P02545 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 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
SCHEMBL1242047 0.80 LMNA (0.46) POLBEPHX2LMNACNR2KCNA5
SCHEMBL4580891 0.76 POLB (0.48) POLBEPHX2KCNH2KCNA5CYP19A1
SCHEMBL1242892 0.72 KCNA5 (0.47) EPHX2KCNH2LMNAHDAC1HDAC6
SCHEMBL1242893 0.72 KCNA5 (0.47) EPHX2KCNH2LMNAHDAC1HDAC6
SCHEMBL1243103 0.72 ADAMTS5 (0.41) POLBEPHX2LMNACNR1CNR2
SCHEMBL12890317 0.71 KDM4E (0.51) POLBLMNAKMT2A
SCHEMBL1240766 0.71 KCNA5 (0.45) KCNH2KMT2AKCNA5
SCHEMBL1242076 0.71 KCNA5 (0.48) POLBEPHX2KCNH2KCNA5CYP19A1
SCHEMBL1242102 0.70 RAB9A (0.41) POLBEPHX2KCNH2KCNA5GAA
SCHEMBL4186497 0.70 KCNA5 (0.55) EPHX2KCNH2LMNAKCNA5

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 POLB 4819/4885PRCP 4002/4885EPHX2 3824/4885

“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.