SCHEMBL2724588

SCHEMBL2724588

CC(C)(C)C1CN(CCc2ccc(C#N)c(OC(F)F)c2)CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 17/20 0.41
KCNH2 Q12809 9/20 0.41
CHRM4 P08173 1/20 0.36

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
SCHEMBL15206325 0.83 KCNJ1 (0.47) KCNJ1KCNH2
SCHEMBL2731394 0.82 KCNJ1 (0.52) KCNJ1KCNH2CHRM4
SCHEMBL2724589 0.78 KCNJ1 (0.45) KCNJ1KCNH2
SCHEMBL2722823 0.72 KCNH2 (0.47) KCNJ1KCNH2
SCHEMBL2731587 0.69 KCNJ1 (0.61) KCNJ1KCNH2
SCHEMBL15205393 0.69 KCNJ1 (0.78) KCNJ1KCNH2
SCHEMBL15191890 0.68 KCNJ1 (0.49) KCNJ1KCNH2CHRM4
SCHEMBL10232409 0.67 KCNJ1 (0.81) KCNJ1KCNH2
SCHEMBL6499922 0.66 AR (0.41)
SCHEMBL21820340 0.66 P2RX7 (0.32)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632465-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-30 EP disclosed
US-9073882-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-07-07 US disclosed
EP-2632465-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
US-20130225561-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2013-08-29 US disclosed
WO-2012058116-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO 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-20130225561-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885KCNH2 16/4885CHRM4 2469/4885

“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.