SCHEMBL2344778

SCHEMBL2344778

COc1ccccc1-n1[nH]c2c(c1=O)CCN(Cc1ccccc1)C2

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYBB P04839 5/20 0.57
NOX5 Q96PH1 5/20 0.57
NOX4 Q9NPH5 5/20 0.57
NOX1 Q9Y5S8 5/20 0.57
SLC6A5 Q9Y345 1/20 0.49
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
ACHE P22303 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
CLPP Q16740 1/20 0.43
ACACB O00763 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL2301612 0.91 CYBB (0.57) CYBBNOX5NOX4NOX1SLC6A5
SCHEMBL2345003 0.81 SLC6A5 (0.57) SLC6A5ACHECLPPMEN1MAPT
SCHEMBL2344801 0.81 GNRHR (0.57) CYBBNOX5NOX4NOX1SLC6A5
SCHEMBL2350126 0.80 CLPP (0.49) CYBBNOX5NOX4NOX1SLC6A5
SCHEMBL2346579 0.79 ACHE (0.48) CYBBNOX5NOX4NOX1SLC6A5
SCHEMBL2352365 0.78 SLC6A5 (0.59) SLC6A5DRD2DRD4DRD3ACHE
SCHEMBL2356216 0.77 SIGMAR1 (0.53) SLC6A5DRD2DRD4DRD3ACHE
SCHEMBL2348073 0.76 SLC6A5 (0.60) SLC6A5DRD2DRD4DRD3ACHE
SCHEMBL2352634 0.76 MEN1 (0.54) CYBBNOX5NOX4NOX1SLC6A5
SCHEMBL2348010 0.75 KDM4E (0.53) CYBBNOX5NOX4NOX1SLC6A5

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
US-8748456-B2 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-06-10 US claimed
US-20120316380-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 US claimed
EP-2361912-A1 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GenKyoTex SA (CH) 2011-08-31 EP claimed
US-8748456-B2 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-06-10 US disclosed
US-8748456-B2 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-06-10 US disclosed
US-8748456-B2 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-06-10 US disclosed
EP-2536721-A1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex SA (CH) 2012-12-26 EP disclosed
US-20120316380-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 US disclosed
US-20120316380-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 US disclosed
US-20120316380-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 US disclosed
EP-2361912-A1 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GenKyoTex SA (CH) 2011-08-31 EP disclosed
WO-2011101805-A1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2011-08-25 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 (1 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-20120316380-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors NOX1, NOX4, NOX5 CYBB 4/4885NOX5 3/4885NOX4 2/4885

“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.