SCHEMBL4549545

SCHEMBL4549545

CC1Cc2cc(CCN3CCN(C(=O)Cc4ccc(-n5cnnn5)cc4)C(C)(C)C3)ccc2C(=O)O1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.58
KCNJ1 P48048 13/20 0.58
SLC6A4 P31645 1/20 0.58

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
SCHEMBL15196870 0.88 KCNJ1 (0.54) KCNH2KCNJ1SLC6A4
SCHEMBL4549557 0.88 KCNJ1 (0.75) KCNH2KCNJ1SLC6A4
SCHEMBL2733227 0.85 KCNH2 (0.60) KCNH2KCNJ1SLC6A4
SCHEMBL4549546 0.85 KCNH2 (0.60) KCNH2KCNJ1SLC6A4
SCHEMBL15196827 0.84 KCNH2 (0.58) KCNH2KCNJ1SLC6A4
SCHEMBL4549589 0.84 KCNH2 (0.58) KCNH2KCNJ1SLC6A4
SCHEMBL4549666 0.82 KCNH2 (0.56) KCNH2KCNJ1SLC6A4
SCHEMBL14785986 0.79 KCNH2 (0.77) KCNH2KCNJ1SLC6A4
SCHEMBL4549541 0.79 KCNH2 (0.77) KCNH2KCNJ1SLC6A4
SCHEMBL2728872 0.78 KCNJ1 (0.76) KCNH2KCNJ1SLC6A4

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
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 US disclosed
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 US disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US 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 2/4885SLC6A4 776/4885

“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.