SCHEMBL2900289

SCHEMBL2900289

COc1c(Br)ccc2c1CCOC2CN1CCN(C(=O)O)C(C(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.36
DRD2 P14416 3/20 0.31
HTR1D P28221 3/20 0.31
HTR2A P28223 3/20 0.31
HTR1A P08908 2/20 0.31
DRD4 P21917 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
SCHEMBL2891301 0.88 KCNJ1 (0.35) KCNJ1DRD2HTR1DHTR2AHTR1A
SCHEMBL298657 0.87 KCNJ1 (0.38) KCNJ1DRD2HTR2A
SCHEMBL2729498 0.85 KCNJ1 (0.36) KCNJ1DRD2HTR1DHTR2AHTR1A
SCHEMBL286987 0.80 MTNR1B (0.40) DRD2HTR1DHTR2AHTR1ADRD4
SCHEMBL2732161 0.80 KCNJ1 (0.37) KCNJ1DRD2HTR1DHTR2AHTR1A
SCHEMBL300048 0.76 KCNJ1 (0.35) KCNJ1DRD2HTR1DHTR2AHTR1A
SCHEMBL2894905 0.75 MEN1 (0.35) KCNJ1DRD2HTR1DHTR2AHTR1A
SCHEMBL296709 0.68 CYP1A2 (0.39)
SCHEMBL2733021 0.66 TERT (0.41)
SCHEMBL2733149 0.66 KCNJ1 (0.35) KCNJ1DRD2HTR1DHTR2AHTR1A

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-2427444-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-16 EP disclosed
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 KCNJ1 2/4885DRD2 2601/4885HTR1D 897/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885DRD2 2601/4885HTR1D 897/4885

“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.