SCHEMBL4549138

SCHEMBL4549138

FC(F)(F)C1CNCCN1CCc1ccc2nonc2c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.52
KCNJ1 P48048 5/20 0.52
L3MBTL1 Q9Y468 1/20 0.41
GRM2 Q14416 1/20 0.41
MITF O75030 1/20 0.40
IDE P14735 2/20 0.38
APAF1 O14727 1/20 0.38
UBE2N P61088 1/20 0.37
ALDH1A1 P00352 2/20 0.33
MET P08581 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
THRB P10828 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
SCHEMBL15196726 0.82 KCNH2 (0.52) KCNH2KCNJ1L3MBTL1MITFIDE
SCHEMBL297781 0.75 KCNH2 (0.80) KCNH2KCNJ1SLC6A2SLC6A4SLC6A3
SCHEMBL4549606 0.74 KCNJ1 (0.56) KCNH2KCNJ1SLC6A4
Hydrochloric Acid SCHEMBL2731720 0.74 KCNH2 (0.78) KCNH2KCNJ1SLC6A2SLC6A4SLC6A3
SCHEMBL2726274 0.71 KCNJ1 (0.44) KCNH2KCNJ1L3MBTL1MITF
SCHEMBL4549644 0.71 KCNJ1 (0.72) KCNH2KCNJ1SLC6A4
SCHEMBL15196776 0.69 KCNJ1 (0.54) KCNH2KCNJ1SLC6A4
SCHEMBL14896010 0.69 KCNH2 (0.57) KCNH2KCNJ1SLC6A4SIGMAR1
SCHEMBL9732503 0.67 KCNJ1 (0.56) KCNH2KCNJ1ALDH1A1HTTNPSR1
SCHEMBL27793481 0.66 SIGMAR1 (0.47) GRM2MITFIDEUBE2NALDH1A1

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 KCNH2 14/4885KCNJ1 2/4885L3MBTL1 3138/4885

“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.