SCHEMBL2303175

SCHEMBL2303175

O=c1c2c([nH]n1Cc1ccccc1)CCN(Cc1cccnc1)C2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 3/20 0.53
ALOX5 P09917 1/20 0.51
GABRA1 P14867 2/20 0.49
GABRA2 P47869 2/20 0.49
GABRA3 P34903 1/20 0.49
ACHE P22303 1/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
SLC6A5 Q9Y345 1/20 0.45
CYBB P04839 1/20 0.44
NOX5 Q96PH1 1/20 0.44
NOX4 Q9NPH5 1/20 0.44
NOX1 Q9Y5S8 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 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
SCHEMBL2352442 0.91 ALOX5 (0.51) CLPPALOX5GABRA1GABRA2GABRA3
SCHEMBL2301297 0.89 ACHE (0.54) CLPPGABRA1GABRA2ACHESLC6A5
SCHEMBL2301876 0.86 CLPP (0.50) CLPPALOX5GABRA1GABRA2GABRA3
SCHEMBL2335692 0.85 CLPP (0.47) CLPPALOX5GABRA1GABRA2GABRA3
SCHEMBL2338036 0.85 KMT2A (0.55) CLPPGABRA1GABRA2ACHE
SCHEMBL6908538 0.85 CLPP (0.46) CLPPGABRA1GABRA2ACHESLC6A5
SCHEMBL2299422 0.84 CLPP (0.53) CLPPGABRA1GABRA2ACHESLC6A5
SCHEMBL2300918 0.84 CLPP (0.53) CLPPGABRA1GABRA2ACHESLC6A5
SCHEMBL6908503 0.83 ACHE (0.48) CLPPGABRA1GABRA2ACHESLC6A5
SCHEMBL2305127 0.82 NOX4 (0.47) CLPPGABRA1GABRA2ACHESLC6A5

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-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
EP-2536723-A1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex SA (CH) 2012-12-26 EP claimed
US-20120316163-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 US claimed
WO-2011101804-A1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2011-08-25 WO 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
US-20120316274-A1 WEATHER RESISTANT VINYL CHLORIDE RESIN COMPOSITION ADEKA CORPORATION (JP) 2012-12-13 US 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 2482/4885ALOX5 303/4885GABRA1 1837/4885

“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.