SCHEMBL297981

SCHEMBL297981

N#Cc1cccc2c1CCOC2CN1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 3/20 0.41
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
DRD2 P14416 1/20 0.37
CHRM3 P20309 1/20 0.36
SLC6A4 P31645 2/20 0.34
SLC6A2 P23975 1/20 0.34
DRD1 P21728 3/20 0.34
TAAR1 Q96RJ0 1/20 0.34
HTR2A P28223 1/20 0.33
HTR1D P28221 1/20 0.33

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
SCHEMBL2897011 0.91 KCNJ1 (0.42) KCNJ1HTR2BDRD2SLC6A4SLC6A2
SCHEMBL2728243 0.83 KCNJ1 (0.37) KCNJ1SLC6A4DRD1TAAR1HTR2A
SCHEMBL286554 0.82 GID4 (0.38) KCNJ1HTR2CHTR2BDRD1TAAR1
SCHEMBL10286951 0.82 KCNJ1 (0.40) KCNJ1HTR2CHTR2BDRD1TAAR1
Hydrochloric Acid SCHEMBL2733015 0.81 KCNJ1 (0.39) KCNJ1HTR2CHTR2BSLC6A4DRD1
SCHEMBL13028033 0.81 KCNJ1 (0.38) KCNJ1DRD2DRD1TAAR1
SCHEMBL297794 0.79 DRD1 (0.43) DRD2SLC6A4SLC6A2DRD1HTR1D
SCHEMBL2731030 0.79 DRD2 (0.44) HTR2CHTR2BDRD2CHRM3SLC6A4
SCHEMBL9683553 0.77 DRD2 (0.47) HTR2BDRD2DRD1TAAR1HTR2A
SCHEMBL2727926 0.77 SIGMAR1 (0.45) HTR2CHTR2BDRD2

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 26 patents — showing the first 20. 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-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 US disclosed
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 US disclosed
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 US disclosed
EP-2632464-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-04-29 EP disclosed
EP-2632464-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-04-29 EP disclosed
US-9018211-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-9018211-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-04-28 US 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-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US 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
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
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2010-11-11 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 (3 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-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885HTR2C 3295/4885HTR2B 3018/4885
US-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885HTR2C 3346/4885HTR2B 3206/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885HTR2C 3346/4885HTR2B 3206/4885

“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.