SCHEMBL4549593

SCHEMBL4549593

Cc1c(CC(=O)N2CCN(CC3CCc4c(C#N)cccc43)CC2)ccc2c1COC2=O

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.47
KCNJ1 P48048 10/20 0.47

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
SCHEMBL4549332 0.83 KCNJ1 (0.54) KCNH2KCNJ1
SCHEMBL4549277 0.78 KCNJ1 (0.51) KCNH2KCNJ1
SCHEMBL15205777 0.75 DRD2 (0.41)
SCHEMBL4549595 0.74 KCNJ1 (0.63) KCNH2KCNJ1
SCHEMBL4549671 0.73 KCNJ1 (0.62) KCNH2KCNJ1
SCHEMBL10233594 0.72 KCNJ1 (0.65) KCNH2KCNJ1
SCHEMBL4549270 0.72 KCNJ1 (0.57) KCNH2KCNJ1
SCHEMBL2733749 0.71 KCNJ1 (0.51) KCNH2KCNJ1
SCHEMBL4549696 0.71 KCNJ1 (0.81) KCNH2KCNJ1
SCHEMBL15205688 0.71 GPR119 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 US disclosed
EP-2632464-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-04-29 EP disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US disclosed
WO-2012058134-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-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 KCNH2 14/4885KCNJ1 2/4885

“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.