SCHEMBL2358828

SCHEMBL2358828

CS(=O)(=O)c1ccc(CN2CCc3c([nH]n(-c4cccc(C#N)c4)c3=O)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 9/20 0.43
NOX4 Q9NPH5 1/20 0.38
ALOX5 P09917 1/20 0.38
MCHR1 Q99705 2/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.36
SLC6A5 Q9Y345 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CCR5 P51681 1/20 0.35

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
SCHEMBL2347838 0.87 CLPP (0.48) CLPPNOX4ALOX5DRD2DRD3
SCHEMBL6912210 0.86 CCR2 (0.41) DRD2SLC6A5MEN1KMT2A
SCHEMBL2347778 0.84 CLPP (0.49) CLPPNOX4DRD2DRD3SLC6A5
SCHEMBL2346966 0.83 CLPP (0.47) CLPPNOX4MCHR1
SCHEMBL2355004 0.83 CLPP (0.47) CLPPNOX4MCHR1MEN1KMT2A
SCHEMBL2347259 0.81 CLPP (0.42) CLPPNOX4
SCHEMBL2349707 0.81 KMT2A (0.48) CLPPMCHR1DRD2DRD3KMT2A
SCHEMBL2347547 0.81 CCR2 (0.41) DRD2DRD3SLC6A5MEN1KMT2A
SCHEMBL2301395 0.81 CLPP (0.57) CLPPNOX4ALOX5MCHR1DRD2
SCHEMBL2356534 0.80 TACR1 (0.46) CLPPDRD2DRD3KCNH2

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 10 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
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
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 CLPP 2482/4885NOX4 2/4885ALOX5 303/4885

“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.