SCHEMBL2335692

SCHEMBL2335692

COc1ccccc1Cn1[nH]c2c(c1=O)CN(Cc1cccnc1)CC2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 3/20 0.47
GABRA1 P14867 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 1/20 0.43
PTGER2 P43116 1/20 0.42
ALOX5 P09917 1/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 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
SCHEMBL2303175 0.85 CLPP (0.53) CLPPGABRA1GABRA3GABRA2ALOX5
SCHEMBL2338010 0.85 KDM4E (0.53) CLPPALDH1A1TSHR
SCHEMBL2302492 0.85 CLPP (0.47) CLPPGABRA1GABRA2KMT2AALDH1A1
SCHEMBL2338036 0.83 KMT2A (0.55) CLPPGABRA1GABRA2KMT2AALDH1A1
SCHEMBL2302417 0.81 CLPP (0.45) CLPPALDH1A1
SCHEMBL2350126 0.77 CLPP (0.49) CLPPKMT2AALDH1A1MEN1
SCHEMBL2352442 0.77 ALOX5 (0.51) CLPPGABRA1GABRA3GABRA2MAPK1
SCHEMBL2348010 0.77 KDM4E (0.53) CLPPKMT2AALDH1A1MEN1TSHR
SCHEMBL2301876 0.76 CLPP (0.50) CLPPGABRA1GABRA3GABRA2KMT2A
SCHEMBL2347669 0.76 MEN1 (0.50) CLPPKMT2AALDH1A1GAAMEN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865758-B2 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-10-21 US claimed
EP-2536723-B1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2013-12-11 EP claimed
US-20120316163-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 US claimed
EP-2361911-A1 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GenKyoTex SA (CH) 2011-08-31 EP claimed
US-8865758-B2 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-10-21 US disclosed
US-8865758-B2 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-10-21 US disclosed
US-8865758-B2 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-10-21 US disclosed
EP-2536723-B1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2013-12-11 EP disclosed
US-20120316163-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 US disclosed
US-20120316163-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 US disclosed
US-20120316163-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 US disclosed
EP-2361911-A1 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GenKyoTex SA (CH) 2011-08-31 EP 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-20120316163-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors NOX1, NOX4, NOX5 CLPP 2482/4885GABRA1 1837/4885GABRA3 1955/4885

“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.