SCHEMBL2729044

SCHEMBL2729044

Cc1cc(N)ncc1CC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.65
NOS1 P29475 2/20 0.65
NOS2 P35228 2/20 0.65
GABRP O00591 5/20 0.56
GABRD O14764 5/20 0.56
GABRA1 P14867 5/20 0.56
GABRB1 P18505 5/20 0.56
GABRG2 P18507 5/20 0.56
GABRB3 P28472 5/20 0.56
GABRA5 P31644 5/20 0.56
GABRA3 P34903 5/20 0.56
GABRA2 P47869 5/20 0.56
GABRB2 P47870 5/20 0.56
GABRA4 P48169 5/20 0.56
GABRE P78334 5/20 0.56
GABRA6 Q16445 5/20 0.56
GABRG1 Q8N1C3 5/20 0.56
GABRG3 Q99928 5/20 0.56
GABRQ Q9UN88 5/20 0.56
CPB2 Q96IY4 1/20 0.50

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
SCHEMBL15018104 0.82 GABRP (0.62) NOS3NOS1NOS2GABRPGABRD
SCHEMBL8322579 0.79 NOS3 (1.00) NOS3NOS1NOS2GABRPGABRD
SCHEMBL7046428 0.77 NOS3 (0.68) NOS3NOS1NOS2GABRPGABRD
SCHEMBL554353 0.75 NOS3 (0.70) NOS3NOS1NOS2GABRPGABRD
SCHEMBL7049168 0.75 NOS3 (0.59) NOS3NOS1NOS2GABRPGABRD
SCHEMBL27515768 0.74 NOS3 (0.54) NOS3NOS1NOS2GABRPGABRD
SCHEMBL11325941 0.74 NPSR1 (0.60) AGBL2NPSR1ALOX15RXRARXRB
SCHEMBL2728906 0.73 CYP1A2 (0.42) NOS3NOS1NOS2AGBL2NPSR1
SCHEMBL2728907 0.73 CYP1A2 (0.42) NOS3NOS1NOS2AGBL2NPSR1
SCHEMBL4005845 0.73 CPB2 (0.55) NOS3NOS1NOS2GABRPGABRD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2790511-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-09-14 EP disclosed
US-9206199-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-12-08 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
US-20140336177-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2014-11-13 US disclosed
EP-2790511-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2014-10-22 EP 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-2013090271-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-06-20 WO disclosed
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO 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-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 NOS3 1097/4885NOS1 550/4885NOS2 922/4885
US-20140336177-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 NOS3 1075/4885NOS1 538/4885NOS2 930/4885

“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.