SCHEMBL2347997

SCHEMBL2347997

O=c1c2c([nH]n1Cc1ccccc1)CN(Cc1cccc(Cl)c1)CC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.59
GAA P10253 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
SIGMAR1 Q99720 1/20 0.52
SLC6A5 Q9Y345 1/20 0.51
CLPP Q16740 4/20 0.50
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.44
GLA P06280 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYBB P04839 2/20 0.44
NOX5 Q96PH1 2/20 0.44

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
SCHEMBL2354986 0.91 MEN1 (0.53) ATMGAAMEN1KMT2ASIGMAR1
SCHEMBL2358237 0.91 CLPP (0.53) ATMGAAMEN1KMT2ASIGMAR1
SCHEMBL2356234 0.91 MEN1 (0.53) ATMGAAMEN1KMT2ASIGMAR1
SCHEMBL2348139 0.91 MEN1 (0.53) ATMGAAMEN1KMT2ASIGMAR1
SCHEMBL2302925 0.91 CLPP (0.55) ATMGAAMEN1KMT2ASIGMAR1
SCHEMBL2348073 0.91 SLC6A5 (0.60) ATMGAAMEN1KMT2ASLC6A5
SCHEMBL2352968 0.90 SLC6A5 (0.54) ATMGAAMEN1KMT2ASIGMAR1
SCHEMBL2354358 0.90 SLC6A5 (0.54) ATMGAAMEN1KMT2ASIGMAR1
SCHEMBL2346453 0.89 DRD2 (0.56) ATMGAAMEN1KMT2ACLPP
SCHEMBL2346852 0.89 DRD2 (0.56) ATMGAAMEN1KMT2ASIGMAR1

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 16 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
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 ATM 3213/4885GAA 506/4885MEN1 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.