SCHEMBL4549653

SCHEMBL4549653

Cc1c(C(C)CN2CCN(C(=O)Cc3cc(F)c(C#N)cc3F)CC2)ccc2c1COC2=O

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 18/20 0.56
KCNH2 Q12809 16/20 0.56
ACHE P22303 1/20 0.49
SSTR1 P30872 1/20 0.49
SLC6A4 P31645 1/20 0.49

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
SCHEMBL4549670 0.93 KCNJ1 (0.61) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL15196888 0.92 KCNJ1 (0.61) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL4549657 0.92 KCNJ1 (0.65) KCNJ1KCNH2
SCHEMBL15196871 0.90 KCNJ1 (0.59) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL15196863 0.85 KCNJ1 (0.56) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL15196754 0.84 KCNJ1 (0.66) KCNJ1KCNH2
SCHEMBL4549671 0.84 KCNJ1 (0.62) KCNJ1KCNH2
SCHEMBL10287709 0.84 KCNJ1 (0.70) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL15196797 0.82 KCNJ1 (0.65) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL15196796 0.82 KCNJ1 (0.66) KCNJ1KCNH2ACHESSTR1SLC6A4

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 6 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
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
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 KCNJ1 2/4885KCNH2 14/4885ACHE 4837/4885

“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.