SCHEMBL2345003

SCHEMBL2345003

O=c1c2c([nH]n1-c1ccccc1)CN(Cc1ccccc1)CC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ACHE P22303 4/20 0.46
CLPP Q16740 1/20 0.44
GAA P10253 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
ADORA2A P29274 1/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.43
BLM P54132 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
SCHEMBL2352634 0.91 MEN1 (0.54) SLC6A5MEN1KMT2AACHECLPP
SCHEMBL2302421 0.90 MEN1 (0.56) SLC6A5MEN1KMT2AACHECLPP
SCHEMBL2344801 0.87 GNRHR (0.57) SLC6A5MEN1KMT2AACHECLPP
SCHEMBL2347869 0.86 L3MBTL1 (0.51) SLC6A5MEN1KMT2AACHEGAA
SCHEMBL2348073 0.84 SLC6A5 (0.60) SLC6A5MEN1KMT2AACHECLPP
SCHEMBL2343325 0.84 MEN1 (0.54) SLC6A5MEN1KMT2ACLPPGAA
SCHEMBL2352365 0.83 SLC6A5 (0.59) SLC6A5MEN1KMT2AACHEGAA
SCHEMBL2300073 0.83 MEN1 (0.54) SLC6A5MEN1KMT2AACHECLPP
SCHEMBL6911739 0.82 SLC6A5 (0.42) SLC6A5MEN1KMT2ACLPPGAA
SCHEMBL2344778 0.81 CYBB (0.57) SLC6A5MEN1KMT2AACHECLPP

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 11 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
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 SLC6A5 4724/4885MEN1 4805/4885KMT2A 3349/4885

“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.