SCHEMBL13028045

SCHEMBL13028045

[C-]#[N+]c1cc2c(cc1OC)C(CN1CCN(CC3OCCc4cc(C#N)c(OC)cc43)CC1)OCC2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.35
KCNJ1 P48048 8/20 0.35
KCNH2 Q12809 2/20 0.35
TAAR1 Q96RJ0 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DRD2 P14416 4/20 0.31
HTR1D P28221 4/20 0.31
HTR1A P08908 3/20 0.31
DRD4 P21917 2/20 0.31
AR P10275 1/20 0.31

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
SCHEMBL2898321 0.91 HTR2A (0.41) HTR2AKCNJ1KCNH2TAAR1DRD2
SCHEMBL299763 0.84 HTR2A (0.45) HTR2AKCNJ1KCNH2TAAR1ALDH1A1
SCHEMBL299742 0.79 HTR2A (0.34) HTR2AKCNJ1KCNH2DRD2HTR1D
SCHEMBL300052 0.79 GPR119 (0.40) KCNJ1KCNH2ALDH1A1
SCHEMBL2894905 0.75 MEN1 (0.35) HTR2AKCNJ1KCNH2KDM4EALDH1A1
SCHEMBL296779 0.74 MTNR1A (0.40) HTR2ATAAR1DRD2HTR1DHTR1A
SCHEMBL13028050 0.74 KCNJ1 (0.53) KCNJ1KCNH2
SCHEMBL4606848 0.73 BCHE (0.42) KDM4EALDH1A1
SCHEMBL2895014 0.72 KCNJ1 (0.69) KCNJ1KCNH2
SCHEMBL10993273 0.72 KCNN2 (0.44) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018211-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-05-22 US disclosed
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 (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-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 HTR2A 3252/4885KCNJ1 2/4885KCNH2 16/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 HTR2A 3252/4885KCNJ1 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.