SCHEMBL2723136

SCHEMBL2723136

N#Cc1ccc(CCN2CCN(CCc3ccc(C#N)cc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 1.00
KCNJ1 P48048 6/20 1.00
HRH3 Q9Y5N1 2/20 0.59
ADRA1D P25100 1/20 0.56
ADRA1A P35348 1/20 0.56
ADRA1B P35368 1/20 0.56
SIGMAR1 Q99720 1/20 0.52
MBTD1 Q05BQ5 1/20 0.50
L3MBTL3 Q96JM7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTR1A P08908 1/20 0.49
DRD4 P21917 1/20 0.49
HTR2A P28223 1/20 0.49
HRH1 P35367 1/20 0.49
OPRM1 P35372 1/20 0.49
CCR2 P41597 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 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
SCHEMBL6221955 0.92 KCNJ1 (0.86) KCNH2KCNJ1HRH3SIGMAR1MBTD1
SCHEMBL15268402 0.88 KCNH2 (0.77) KCNH2KCNJ1HRH3ADRA1DADRA1A
SCHEMBL16627270 0.87 KCNH2 (0.76) KCNH2KCNJ1HRH3ADRA1DADRA1A
SCHEMBL2348070 0.86 KCNH2 (0.75) KCNH2KCNJ1HRH3ADRA1DADRA1A
SCHEMBL17828193 0.85 KCNH2 (0.73) KCNH2KCNJ1HRH3SIGMAR1HRH1
SCHEMBL10232708 0.84 KCNJ1 (1.00) KCNH2KCNJ1HRH3SIGMAR1MAOA
SCHEMBL2342688 0.82 KCNH2 (0.69) KCNH2KCNJ1HRH3ADRA1DADRA1A
SCHEMBL7498982 0.80 KCNJ1 (0.67) KCNH2KCNJ1HRH3SIGMAR1HTR1A
SCHEMBL6999087 0.80 KCNH2 (0.67) KCNH2KCNJ1HRH3ADRA1DADRA1A
SCHEMBL20804360 0.79 KCNJ1 (0.66) KCNH2KCNJ1HRH3SIGMAR1CCR2

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 11 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 claimed
US-9073882-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-07-07 US claimed
EP-2632465-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-30 EP disclosed
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
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
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
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 2/4885HRH3 1705/4885

“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.