SCHEMBL1829979

SCHEMBL1829979

COc1ccc(-c2ccn(CCNC(=O)OC(C)(C)C)c2-c2ccc(C#N)cc2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
MAPK14 Q16539 1/20 0.39
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
GRM2 Q14416 1/20 0.37
DYRK1A Q13627 1/20 0.37
NSD2 O96028 1/20 0.36
EGLN2 Q96KS0 1/20 0.35
EGLN1 Q9GZT9 4/20 0.35
DRD2 P14416 3/20 0.35
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
HTR1A P08908 2/20 0.35
HTR7 P34969 2/20 0.35
HTR6 P50406 2/20 0.35
CTSL P07711 1/20 0.35
BRD4 O60885 1/20 0.34

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
SCHEMBL1829684 0.80 HRH2 (0.45) HRH2HRH1MAPK14GRM2DRD2
SCHEMBL1828903 0.80 GRM2 (0.38) HRH2HRH1MAPK14GRM2EGLN1
SCHEMBL1828357 0.79 GRM2 (0.42) HRH2HRH1MAPK14GRM2NSD2
SCHEMBL9009161 0.74 MTNR1A (0.47) DRD2MTNR1AMTNR1B
SCHEMBL29778695 0.73 IDO1 (0.44) DYRK1ADRD2MTNR1AMTNR1BCTSL
SCHEMBL1903906 0.72 HRH2 (0.37) HRH2HRH1MAPTGRM2NSD2
SCHEMBL1829683 0.72 HRH2 (0.44) HRH2HRH1MAPK14GRM2EGLN1
SCHEMBL1829774 0.71 HRH2 (0.41) HRH2HRH1MAPK14MAPTGRM2
SCHEMBL1828937 0.71 HRH2 (0.40) HRH2HRH1NSD2EGLN2
SCHEMBL7229011 0.69 HRH2 (0.47) HRH2HRH1MAPK14MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029402-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase NIVALIS THERAPEUTICS, INC. (US) 2015-05-12 US disclosed
US-9029402-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase NIVALIS THERAPEUTICS, INC. (US) 2015-05-12 US disclosed
US-9029402-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase NIVALIS THERAPEUTICS, INC. (US) 2015-05-12 US disclosed
US-20140113938-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase NIVALIS THERAPEUTICS, INC. 2014-04-24 US disclosed
US-20140113938-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase NIVALIS THERAPEUTICS, INC. 2014-04-24 US disclosed
US-20140113938-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase NIVALIS THERAPEUTICS, INC. 2014-04-24 US disclosed
US-8642628-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2014-02-04 US disclosed
US-8642628-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2014-02-04 US disclosed
US-8642628-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2014-02-04 US disclosed
EP-2315590-B1 PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS LLC (US) 2012-09-26 EP disclosed
EP-2315590-B1 PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS LLC (US) 2012-09-26 EP disclosed
US-20110136875-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2011-06-09 US disclosed
US-20110136875-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2011-06-09 US disclosed
US-20110136875-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2011-06-09 US disclosed
EP-2315590-A1 PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 Pharmaceuticals, LLC (US) 2011-05-04 EP disclosed
WO-2010019909-A1 PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS, LLC (US) 2010-02-18 WO disclosed
WO-2010019909-A1 PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS, LLC (US) 2010-02-18 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-20110136875-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR HRH2 3574/4885HRH1 4245/4885MAPK14 4584/4885
US-20140113938-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR HRH2 3574/4885HRH1 4245/4885MAPK14 4584/4885

“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.