SCHEMBL2733183

SCHEMBL2733183

CC(Cc1ccc([N+](=O)[O-])cc1)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 16/20 1.00
KCNH2 Q12809 15/20 1.00
HRH3 Q9Y5N1 1/20 0.63
SIGMAR1 Q99720 2/20 0.59
MAOA P21397 1/20 0.53

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
SCHEMBL2723518 0.89 KCNJ1 (0.79) KCNJ1KCNH2HRH3
SCHEMBL286799 0.85 KCNJ1 (0.74) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL2731306 0.84 KCNJ1 (1.00) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL3526680 0.82 KCNJ1 (0.87) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL15205659 0.81 KCNJ1 (0.68) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL5763269 0.80 KCNJ1 (0.84) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL10233597 0.80 KCNJ1 (0.66) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL15215153 0.80 KCNJ1 (0.66) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL10233961 0.79 KCNJ1 (1.00) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL5653299 0.78 HRH3 (0.93) KCNJ1KCNH2HRH3SIGMAR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 KCNJ1 2/4885KCNH2 16/4885HRH3 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.