SCHEMBL2731338

SCHEMBL2731338

O=C(O)N1CCN(CCc2ccc3nonc3c2)CC1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.76
KCNJ1 P48048 5/20 0.76
PKM P14618 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GRIA3 P42263 1/20 0.43
GRIA4 P48058 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL9731780 0.86 KCNH2 (0.71) KCNH2KCNJ1MEN1KMT2AGRIA3
SCHEMBL297835 0.82 KCNJ1 (0.64) KCNH2KCNJ1
SCHEMBL9733429 0.82 KCNH2 (0.88) KCNH2KCNJ1MEN1KMT2AALDH1A1
SCHEMBL5776348 0.82 KCNH2 (0.49) KCNH2KCNJ1MEN1KMT2AALDH1A1
SCHEMBL8562251 0.80 KCNH2 (0.78) KCNH2KCNJ1PKMALDH1A1HTT
SCHEMBL297781 0.78 KCNH2 (0.80) KCNH2KCNJ1SIGMAR1
SCHEMBL10233871 0.77 KCNJ1 (1.00) KCNH2KCNJ1SIGMAR1
Hydrochloric Acid SCHEMBL2731720 0.77 KCNH2 (0.78) KCNH2KCNJ1SIGMAR1
SCHEMBL9732529 0.77 MAPK14 (0.57) KCNH2KCNJ1GRIA3GRIA4
SCHEMBL15196767 0.77 KCNJ1 (0.75) KCNH2KCNJ1

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 5 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 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
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 2/4885PKM 605/4885

“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.