SCHEMBL2339754

SCHEMBL2339754

O=c1c2c([nH]n1Cc1ccccc1)CCN(Cc1ccc(Cl)cc1Cl)C2

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.54
C5AR1 P21730 1/20 0.45
ACHE P22303 2/20 0.43
BCHE P06276 1/20 0.43
BACE1 P56817 1/20 0.43
CXCR3 P49682 1/20 0.43
CLPP Q16740 3/20 0.42
COMT P21964 1/20 0.41
CYP2A13 Q16696 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
PNMT P11086 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
SCHEMBL2300918 0.87 CLPP (0.53) SIGMAR1ACHECLPPSLC6A5PNMT
SCHEMBL2299422 0.87 CLPP (0.53) SIGMAR1ACHECLPPSLC6A5PNMT
SCHEMBL2302925 0.86 CLPP (0.55) SIGMAR1ACHECLPPSLC6A5
SCHEMBL2301297 0.85 ACHE (0.54) ACHECLPPSLC6A5PNMT
SCHEMBL2339909 0.84 ACHE (0.47) ACHECLPPSLC6A5PNMT
SCHEMBL2301137 0.83 SIGMAR1 (0.53) SIGMAR1ACHECLPPSLC6A5PNMT
SCHEMBL2303506 0.82 CLPP (0.49) ACHECLPP
SCHEMBL6908503 0.79 ACHE (0.48) ACHECLPPSLC6A5PNMT
SCHEMBL6908510 0.78 ACHE (0.46) ACHECLPPSLC6A5
SCHEMBL2352968 0.78 SLC6A5 (0.54) SIGMAR1ACHECLPPSLC6A5PNMT

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
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
WO-2011101804-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-20120316163-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors NOX1, NOX4, NOX5 SIGMAR1 2370/4885C5AR1 2682/4885ACHE 1680/4885

“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.