SCHEMBL14782896

SCHEMBL14782896

O=C1OCc2cc(CCC3CCNCC3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 14/20 0.54
KCNJ1 P48048 11/20 0.54
PRF1 P14222 2/20 0.43
ACHE P22303 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42

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 SCHEMBL14785974 0.99 KCNH2 (0.53) KCNH2KCNJ1PRF1ACHELMNA
SCHEMBL14790542 0.87 KCNH2 (0.43) KCNH2KCNJ1
Hydrochloric Acid SCHEMBL14785766 0.86 KCNH2 (0.43) KCNH2KCNJ1
SCHEMBL14782838 0.80 KCNH2 (0.73) KCNH2KCNJ1
SCHEMBL15953393 0.79 KCNH2 (0.62) KCNH2KCNJ1PRF1ACHE
Hydrochloric Acid SCHEMBL15954037 0.77 KCNJ1 (0.46) KCNH2KCNJ1PRF1ACHELMNA
SCHEMBL286379 0.76 KCNJ1 (0.82) KCNH2KCNJ1
Hydrochloric Acid SCHEMBL298344 0.75 KCNJ1 (0.80) KCNH2KCNJ1
SCHEMBL14790115 0.75 MAOA (0.62) KCNH2MAOAMAOB
Hydrochloric Acid SCHEMBL15953273 0.74 MAOA (0.60) KCNH2MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527830-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2016-12-27 US disclosed
US-9527830-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2016-12-27 US disclosed
EP-2755656-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-09-07 EP disclosed
US-20140235628-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2014-08-21 US disclosed
US-20140235628-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2014-08-21 US disclosed
EP-2755656-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2014-07-23 EP disclosed
WO-2013039802-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-03-21 WO disclosed
WO-2013039802-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-03-21 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-20140235628-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 KCNH2 16/4885KCNJ1 2/4885PRF1 945/4885

“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.