SCHEMBL2722709

SCHEMBL2722709

CSc1cc(CCN2CCNCC2)ccc1C#N

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.60
KCNJ1 P48048 14/20 0.60
SIGMAR1 Q99720 3/20 0.50
SLC6A4 P31645 2/20 0.49
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL2726359 0.81 KCNH2 (0.61) KCNH2KCNJ1SIGMAR1SLC6A4SLC6A2
SCHEMBL2728949 0.80 KCNH2 (0.58) KCNH2KCNJ1SIGMAR1SLC6A4SLC6A2
SCHEMBL2730838 0.80 KCNJ1 (0.60) KCNH2KCNJ1SIGMAR1SLC6A4SLC6A2
SCHEMBL2723126 0.80 KCNH2 (0.60) KCNH2KCNJ1SIGMAR1SLC6A4SLC6A2
SCHEMBL2731395 0.76 KCNJ1 (0.56) KCNH2KCNJ1SIGMAR1
SCHEMBL10234055 0.76 KCNJ1 (1.00) KCNH2KCNJ1
SCHEMBL2722823 0.74 KCNH2 (0.47) KCNH2KCNJ1SIGMAR1SLC6A4SLC6A2
SCHEMBL9321244 0.73 KCNH2 (0.55) KCNH2KCNJ1SIGMAR1SLC6A4SLC6A2
SCHEMBL2731394 0.72 KCNJ1 (0.52) KCNH2KCNJ1HRH3
SCHEMBL4840441 0.69 SIGMAR1 (0.50) KCNH2KCNJ1SIGMAR1SLC6A4SLC6A2

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
EP-2632465-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-30 EP disclosed
US-9073882-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-07-07 US disclosed
EP-2632465-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
US-20130225561-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2013-08-29 US disclosed
WO-2012058116-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-20130225561-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 KCNH2 16/4885KCNJ1 2/4885SIGMAR1 1342/4885

“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.