SCHEMBL287045

SCHEMBL287045

O=C1OCc2c1ccc(Br)c2CCO

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 15/20 0.40
KCNH2 Q12809 10/20 0.40
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
ACHE P22303 2/20 0.37
SSTR1 P30872 1/20 0.37
SLC6A4 P31645 1/20 0.37
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PRF1 P14222 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
SCHEMBL2729094 0.84 KCNJ1 (0.43) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL286711 0.81 KCNJ1 (0.44) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL297117 0.78 KCNJ1 (0.46) KCNJ1KCNH2IMPDH2IMPDH1ACHE
SCHEMBL2732911 0.77 KCNJ1 (0.41) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL2729070 0.77 KCNJ1 (0.41) KCNJ1KCNH2IMPDH2IMPDH1
SCHEMBL20231338 0.75 KCNJ1 (0.44) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL855079 0.74 KCNJ1 (0.46) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL19264534 0.72 KCNJ1 (0.68) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL2729938 0.72 KCNJ1 (0.46) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL2733555 0.71 KCNJ1 (0.44) KCNJ1KCNH2ACHESSTR1SLC6A4

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027625-B1 SPIRO-FUSED DERIVATIVES OF PIPERIDINE USEFUL FOR THE TREATMENT OF INTER ALIA HYPERTENSION AND ACUTE OR CHRONIC HEART FAILURE MERCK SHARP & DOHME (US) 2018-05-30 EP disclosed
EP-2956142-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2017-09-20 EP disclosed
US-9751881-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-09-05 US disclosed
US-9604998-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-03-28 US disclosed
EP-2877471-B1 SPIRO-FUSED PIPERIDINE DERIVATIVES FOR USE AS INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-11-02 EP disclosed
US-20160207922-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME CORP. (US) 2016-07-21 US disclosed
EP-3027625-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2016-06-08 EP disclosed
US-20160002259-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2016-01-07 US disclosed
EP-2956142-A2 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2015-12-23 EP disclosed
EP-2427444-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-16 EP disclosed
US-8673920-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
WO-2014018764-A1 SPIRO - FUSED PIPERIDINE DERIVATIVES FOR USE AS INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-01-30 WO disclosed
WO-2014015495-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-01-30 WO disclosed
US-20140031349-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-01-30 US disclosed
EP-2632464-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US disclosed
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO 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 (5 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-20160207922-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885KCNH2 22/4885IMPDH2 2399/4885
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885KCNH2 14/4885IMPDH2 1975/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885KCNH2 16/4885IMPDH2 1954/4885
US-20160002259-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885KCNH2 21/4885IMPDH2 2443/4885
US-20140031349-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885KCNH2 22/4885IMPDH2 2272/4885

“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.