SCHEMBL2351975

SCHEMBL2351975

O=c1c2c([nH]n1CCN1CCOCC1)CN(Cc1cc(Cl)cc(Cl)c1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.46
TMEM97 Q5BJF2 4/20 0.46
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 2/20 0.38
GAA P10253 1/20 0.38
SLC6A5 Q9Y345 1/20 0.37
DAO P14920 1/20 0.37
RCE1 Q9Y256 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PARP1 P09874 2/20 0.34
DRD4 P21917 4/20 0.34
DRD2 P14416 2/20 0.34
DRD3 P35462 1/20 0.34
RAPGEF3 O95398 1/20 0.34
NOX4 Q9NPH5 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL2344980 0.90 AKR1C3 (0.43) MEN1KMT2AATMSLC6A5RCE1
SCHEMBL2348972 0.89 MEN1 (0.52) SIGMAR1MEN1KMT2AATMGAA
SCHEMBL2348282 0.86 MEN1 (0.41) SIGMAR1TMEM97MEN1KMT2AATM
SCHEMBL2302234 0.81 AKR1C3 (0.43) MEN1KMT2APARP1DRD4DRD2
SCHEMBL2351683 0.80 MEN1 (0.53) SIGMAR1MEN1KMT2AATMGAA
SCHEMBL2347851 0.80 KDM4E (0.48) SLC6A5DRD4DRD2DRD3NOX4
SCHEMBL2343263 0.79 CLPP (0.47) SLC6A5PARP1HRH3
SCHEMBL2349570 0.79 CNR2 (0.44) KMT2AGAASLC6A5DRD2DRD3
SCHEMBL2349473 0.76 MEN1 (0.53) SIGMAR1MEN1KMT2AATMGAA
SCHEMBL2351132 0.76 DRD4 (0.43) MEN1KMT2AATMGAASLC6A5

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
EP-2536721-A1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex SA (CH) 2012-12-26 EP 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
WO-2011101805-A1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2011-08-25 WO 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 SIGMAR1 2370/4885TMEM97 2821/4885MEN1 4805/4885

“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.