SCHEMBL13028044

SCHEMBL13028044

[C-]#[N+]c1ccc2c(c1OC)CCOC2CN1CCN(CCc2ccc3c(c2C)COC3=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 20/20 0.54
KCNH2 Q12809 4/20 0.54

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
SCHEMBL2900190 0.88 KCNJ1 (0.62) KCNJ1KCNH2
SCHEMBL13028050 0.85 KCNJ1 (0.53) KCNJ1KCNH2
SCHEMBL2895014 0.76 KCNJ1 (0.69) KCNJ1KCNH2
SCHEMBL10234057 0.73 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL13028040 0.73 KCNJ1 (0.56) KCNJ1KCNH2
SCHEMBL10233884 0.71 KCNJ1 (0.75) KCNJ1KCNH2
SCHEMBL13027852 0.69 KCNJ1 (0.69) KCNJ1KCNH2
SCHEMBL2898390 0.69 KCNJ1 (0.69) KCNJ1KCNH2
SCHEMBL2898394 0.69 KCNJ1 (0.69) KCNJ1KCNH2
SCHEMBL2901460 0.69 KCNJ1 (0.69) KCNJ1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673920-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2010-11-11 US 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-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885KCNH2 16/4885

“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.