SCHEMBL14723162

SCHEMBL14723162

Cc1c(C2CO2)ccc(C#N)c1F

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.41
KCNJ1 P48048 10/20 0.38
EGLN2 Q96KS0 2/20 0.37
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
NOTUM Q6P988 1/20 0.33
USP14 P54578 1/20 0.32

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
SCHEMBL14720278 0.80 KCNJ1 (0.42) ARKCNJ1
SCHEMBL27958739 0.79 OPRL1 (0.43) KCNJ1CYP11B1CYP11B2
SCHEMBL15893614 0.79 KCNJ1 (0.48) KCNJ1
SCHEMBL286325 0.78 KCNJ1 (0.44) KCNJ1
SCHEMBL15036929 0.77 KCNJ1 (0.45) KCNJ1
SCHEMBL29628279 0.77 OPRL1 (0.36) CYP11B1CYP11B2
SCHEMBL286934 0.77 KCNJ1 (0.44) KCNJ1
SCHEMBL13216259 0.73 AR (0.44) AREGLN2CYP11B1CYP11B2
SCHEMBL17687714 0.73 TRPV4 (0.34) ARKCNJ1CYP11B1CYP11B2USP14
SCHEMBL27958745 0.73 AR (0.36) ARKCNJ1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275302-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. 2017-09-28 US disclosed
US-20170275302-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. 2017-09-28 US disclosed
EP-3207030-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2017-08-23 EP disclosed
EP-2744499-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-09-28 EP disclosed
EP-2744499-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-09-28 EP disclosed
WO-2016060941-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2016-04-21 WO disclosed
WO-2016060941-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2016-04-21 WO disclosed
US-9062070-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-23 US disclosed
US-9062070-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-23 US disclosed
US-20140206618-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2014-07-24 US disclosed
US-20140206618-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2014-07-24 US disclosed
EP-2744499-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2014-06-25 EP disclosed
WO-2013028474-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-02-28 WO disclosed
WO-2013028474-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-02-28 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 (2 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-20170275302-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 AR 2596/4885KCNJ1 2/4885EGLN2 1945/4885
US-20140206618-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 AR 2532/4885KCNJ1 2/4885EGLN2 1997/4885

“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.