SCHEMBL286987

SCHEMBL286987

COc1cc2c(cc1Br)CCOC2CN1CCN(C(=O)O)C(C(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 3/20 0.40
MTNR1A P48039 1/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD2 P14416 5/20 0.34
HTR1D P28221 5/20 0.34
HTR2A P28223 5/20 0.34
HTR1A P08908 3/20 0.34
DRD4 P21917 2/20 0.34
LMNA P02545 2/20 0.34
HTR1B P28222 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL2894905 0.87 MEN1 (0.35) MEN1KMT2ADRD2HTR1DHTR2A
SCHEMBL296779 0.81 MTNR1A (0.40) MTNR1BMTNR1ADRD2HTR1DHTR2A
SCHEMBL2900289 0.80 KCNJ1 (0.36) DRD2HTR1DHTR2AHTR1ADRD4
SCHEMBL2898778 0.79 MEN1 (0.38) MTNR1BMTNR1AMEN1KMT2ADRD2
SCHEMBL298146 0.79 CYP19A1 (0.37) MTNR1BMTNR1ADRD2HTR1DHTR2A
SCHEMBL298657 0.78 KCNJ1 (0.38) DRD2HTR2A
SCHEMBL297766 0.74 HTR2C (0.46) MTNR1BMTNR1AHTR2A
SCHEMBL2891301 0.74 KCNJ1 (0.35) DRD2HTR1DHTR2AHTR1ADRD4
SCHEMBL2732161 0.71 KCNJ1 (0.37) DRD2HTR1DHTR2AHTR1ADRD4
SCHEMBL286798 0.68 MTNR1A (0.43) MTNR1BMTNR1AHTR2ALMNAMAPK1

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 7 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
EP-2427444-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed
WO-2010129379-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO 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 MTNR1B 899/4885MTNR1A 1292/4885MEN1 285/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 MTNR1B 899/4885MTNR1A 1292/4885MEN1 285/4885

“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.