SCHEMBL14896010

SCHEMBL14896010

O=C1CNCCN1CCc1ccc2nonc2c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.57
KCNJ1 P48048 5/20 0.57
SIRT2 Q8IXJ6 1/20 0.37
SCN9A Q15858 1/20 0.36
PKM P14618 1/20 0.35
TOP2A P11388 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
SLC6A4 P31645 1/20 0.34
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33

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
SCHEMBL297781 0.79 KCNH2 (0.80) KCNH2KCNJ1SIGMAR1SLC6A4
Hydrochloric Acid SCHEMBL2731720 0.78 KCNH2 (0.78) KCNH2KCNJ1SIGMAR1SLC6A4
SCHEMBL8402666 0.76 DAO (0.49) KCNH2SIGMAR1SLC6A4
SCHEMBL4397007 0.75 F10 (0.47) KCNH2SCN9A
SCHEMBL11335574 0.74 ALDH1A1 (0.50) KCNH2KCNJ1PKMSLC6A4
SCHEMBL931348 0.74 SIGMAR1 (0.49) SIGMAR1
SCHEMBL8399418 0.74 SLC6A3 (0.52) KCNH2SIGMAR1SLC6A4
SCHEMBL16107350 0.73 KCNJ1 (0.63) KCNH2KCNJ1SLC6A4
SCHEMBL8562251 0.72 KCNH2 (0.78) KCNH2KCNJ1PKMSIGMAR1HCRTR1
SCHEMBL27333737 0.72 SLC6A2 (0.48) KCNH2KCNJ1SLC6A4GRIA3GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771005-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-05-18 EP disclosed
US-8999990-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-04-07 US disclosed
US-8999990-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-04-07 US disclosed
US-8999990-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-04-07 US disclosed
US-20140296225-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2014-10-02 US disclosed
US-20140296225-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2014-10-02 US disclosed
US-20140296225-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2014-10-02 US disclosed
EP-2771005-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2014-09-03 EP disclosed
WO-2013062892-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-05-02 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-20140296225-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 KCNH2 21/4885KCNJ1 2/4885SIRT2 1590/4885

“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.