SCHEMBL297794

SCHEMBL297794

N#Cc1cccc2c1CCOC2CO

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 4/20 0.43
DRD2 P14416 2/20 0.40
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KMT2A Q03164 2/20 0.34
S1PR1 P21453 1/20 0.34
NOTUM Q6P988 1/20 0.33
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
OPRL1 P41146 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
HTR1D P28221 1/20 0.31
THRB P10828 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
SCHEMBL30360687 0.81 TAAR1 (0.49) DRD1DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL2897011 0.81 KCNJ1 (0.42) DRD1DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL19816300 0.81 TAAR1 (0.49) DRD1DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL19812934 0.81 TAAR1 (0.49) DRD1DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL32670584 0.81 TAAR1 (0.49) DRD1DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL30360677 0.81 TAAR1 (0.49) DRD1DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL19812890 0.81 TAAR1 (0.49) DRD1DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL19824791 0.80 OPRL1 (0.39) DRD1DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL297981 0.79 KCNJ1 (0.41) DRD1DRD2SLC6A2SLC6A4HTR1D
SCHEMBL298490 0.78 DRD1 (0.45) DRD1SLC6A2SLC6A4SLC6A3KMT2A

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 12 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-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
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-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 (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 DRD1 2709/4885DRD2 2743/4885SLC6A2 249/4885
US-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 DRD1 2283/4885DRD2 2601/4885SLC6A2 247/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 DRD1 2283/4885DRD2 2601/4885SLC6A2 247/4885

“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.