SCHEMBL18156853

SCHEMBL18156853

C#Cc1ccc(-c2ncc3c(n2)CCN(CC(O)c2ccc4c(c2C)COC4=O)C3)c(C)c1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 20/20 0.74
▸ KCNH2 Q12809 6/20 0.67
▸ ACHE P22303 1/20 0.52
▸ SSTR1 P30872 1/20 0.52
▸ SLC6A4 P31645 1/20 0.52

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
SCHEMBL16853015 0.93 KCNJ1 (0.86) KCNJ1KCNH2
SCHEMBL18156857 0.90 KCNJ1 (0.70) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL16853075 0.85 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL18156880 0.84 KCNJ1 (0.88) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL16853016 0.84 KCNJ1 (0.78) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL31098422 0.84 KCNJ1 (0.78) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL16853017 0.84 KCNJ1 (0.79) KCNJ1KCNH2
SCHEMBL18156852 0.81 KCNJ1 (0.74) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL31098389 0.80 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL16853059 0.80 KCNJ1 (1.00) 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-10000484-B2 Inhibitors of the renal outer medullary potassim channel MERCK SHARP & DOHME CORP. (US) 2018-06-19 — — US disclosed
US-20160304515-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIM CHANNEL MERCK SHARP & DOHME LLC 2016-10-20 — — 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 (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-10000484-B2 Inhibitors of the renal outer medullary potassim channel KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885KCNH2 32/4885ACHE 4869/4885
US-20160304515-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIM CHANNEL KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885KCNH2 32/4885ACHE 4869/4885

“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.

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