SCHEMBL2348010

SCHEMBL2348010

COc1ccccc1Cn1[nH]c2c(c1=O)CCN(Cc1ccc(Cl)cc1)C2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CLPP Q16740 1/20 0.47
DRD4 P21917 4/20 0.47
TSHR P16473 1/20 0.44
DRD2 P14416 2/20 0.43
DRD3 P35462 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ACHE P22303 1/20 0.41
GNRHR P30968 1/20 0.41
LMNA P02545 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
ACACB O00763 1/20 0.41
CYBB P04839 1/20 0.41
NOX5 Q96PH1 1/20 0.41
NOX4 Q9NPH5 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
COMT P21964 1/20 0.40

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
SCHEMBL2338010 0.92 KDM4E (0.53) KDM4EALDH1A1CLPPDRD4TSHR
SCHEMBL2347669 0.91 MEN1 (0.50) KDM4EALDH1A1CLPPDRD4DRD2
SCHEMBL2350126 0.89 CLPP (0.49) KDM4EALDH1A1CLPPDRD4DRD2
SCHEMBL2354622 0.88 KDM4E (0.46) KDM4EALDH1A1CLPPDRD4TSHR
SCHEMBL2302492 0.84 CLPP (0.47) KDM4EALDH1A1CLPPDRD4DRD2
SCHEMBL2352968 0.84 SLC6A5 (0.54) CLPPMEN1KMT2AACHESLC6A5
SCHEMBL2354358 0.84 SLC6A5 (0.54) CLPPMEN1KMT2AACHESLC6A5
SCHEMBL2351405 0.81 KMT2A (0.53) KDM4EALDH1A1CLPPDRD4DRD2
SCHEMBL2302417 0.81 CLPP (0.45) KDM4EALDH1A1CLPPDRD4DRD2
SCHEMBL2349760 0.80 DRD4 (0.44) KDM4EALDH1A1CLPPDRD4DRD2

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 13 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
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 KDM4E 3277/4885ALDH1A1 109/4885CLPP 2482/4885

“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.