SCHEMBL2344801

SCHEMBL2344801

COc1cccc(-n2[nH]c3c(c2=O)CCN(Cc2ccccc2)C3)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 2/20 0.57
DRD4 P21917 3/20 0.51
DRD3 P35462 3/20 0.51
KMT2A Q03164 2/20 0.51
ACHE P22303 2/20 0.51
DRD2 P14416 2/20 0.51
SIGMAR1 Q99720 3/20 0.50
TMEM97 Q5BJF2 2/20 0.50
CHRM2 P08172 1/20 0.50
HTR1A P08908 1/20 0.50
CHRM3 P20309 1/20 0.50
ADRA1D P25100 1/20 0.50
HTR2C P28335 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
HTR2B P41595 1/20 0.50
SLC6A3 Q01959 1/20 0.50
GABRA1 P14867 1/20 0.49
GABRA2 P47869 1/20 0.49
MEN1 O00255 1/20 0.48

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
SCHEMBL2350571 0.92 DRD2 (0.55) GNRHRDRD4DRD3KMT2AACHE
SCHEMBL2347647 0.92 KDM4E (0.54) GNRHRDRD4DRD3KMT2AACHE
SCHEMBL2349416 0.92 KMT2A (0.51) GNRHRDRD4DRD3KMT2AACHE
SCHEMBL2301114 0.92 ACHE (0.56) GNRHRDRD4DRD3KMT2AACHE
SCHEMBL2347869 0.89 L3MBTL1 (0.51) GNRHRKMT2AACHEMEN1SLC6A5
SCHEMBL2349707 0.88 KMT2A (0.48) GNRHRDRD4DRD3KMT2ADRD2
SCHEMBL2352634 0.87 MEN1 (0.54) GNRHRDRD4DRD3KMT2AACHE
SCHEMBL2348021 0.87 GNRHR (0.59) GNRHRDRD4DRD3KMT2AACHE
SCHEMBL2345003 0.87 SLC6A5 (0.57) GNRHRKMT2AACHEMEN1CLPP
SCHEMBL2358094 0.85 SIGMAR1 (0.56) GNRHRDRD4DRD3KMT2AACHE

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 14 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
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
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 GNRHR 4390/4885DRD4 3868/4885DRD3 3533/4885

“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.