SCHEMBL4549047

SCHEMBL4549047

O=C1OCCc2cc(CCN3CCNCC3)ccc21

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 16/20 0.62
KCNH2 Q12809 12/20 0.62
SIGMAR1 Q99720 2/20 0.52
SLC6A4 P31645 2/20 0.51
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
Hydrochloric Acid SCHEMBL2733249 0.99 KCNJ1 (0.61) KCNJ1KCNH2SIGMAR1SLC6A4SLC6A2
SCHEMBL286379 0.87 KCNJ1 (0.82) KCNJ1KCNH2SLC6A4
Hydrochloric Acid SCHEMBL298344 0.86 KCNJ1 (0.80) KCNJ1KCNH2SLC6A4
SCHEMBL4549131 0.83 KCNJ1 (0.74) KCNJ1KCNH2SIGMAR1SLC6A4
Hydrochloric Acid SCHEMBL15192333 0.82 KCNJ1 (0.73) KCNJ1KCNH2SIGMAR1SLC6A4
Hydrochloric Acid SCHEMBL14919505 0.81 KCNJ1 (0.47) KCNJ1KCNH2SLC6A4
Hydrochloric Acid SCHEMBL15192398 0.78 KCNJ1 (0.67) KCNJ1KCNH2SLC6A4
SCHEMBL14790542 0.78 KCNH2 (0.43) KCNJ1KCNH2
SCHEMBL10286950 0.77 KCNJ1 (0.84) KCNJ1KCNH2SIGMAR1SLC6A4SLC6A2
SCHEMBL10233588 0.77 KCNJ1 (0.84) KCNJ1KCNH2SIGMAR1SLC6A4SLC6A2

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
EP-2773199-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2019-04-10 EP disclosed
US-9139585-B2 Inhibitors of the Renal Outer Medullary Potassium channel MERCK SHARP & DOHME CORP. (US) 2015-09-22 US disclosed
US-9139585-B2 Inhibitors of the Renal Outer Medullary Potassium channel MERCK SHARP & DOHME CORP. (US) 2015-09-22 US disclosed
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-20140309213-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2014-10-16 US disclosed
US-20140309213-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2014-10-16 US 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-2013066714-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-05-10 WO 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 (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-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885KCNH2 14/4885SIGMAR1 1324/4885
US-20140309213-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ2, KCNJ11, KCNJ1 KCNJ1 3/4885KCNH2 4/4885SIGMAR1 840/4885

“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.