SCHEMBL2347869

SCHEMBL2347869

O=c1c2c([nH]n1-c1cccc(OCc3ccccc3)c1)CN(Cc1ccccc1)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
GNRHR P30968 1/20 0.47
SLC6A5 Q9Y345 1/20 0.47
ACHE P22303 1/20 0.46
ALOX5 P09917 1/20 0.46
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
SNRNP200 O75643 1/20 0.44
GRM5 P41594 1/20 0.44
REV1 Q9UBZ9 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
FAAH O00519 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL2303904 0.92 L3MBTL1 (0.51) L3MBTL1GNRHRSLC6A5ACHEALOX5
SCHEMBL2344801 0.89 GNRHR (0.57) GNRHRSLC6A5ACHEMEN1KMT2A
SCHEMBL2352634 0.86 MEN1 (0.54) GNRHRSLC6A5ACHEMEN1KMT2A
SCHEMBL2345003 0.86 SLC6A5 (0.57) GNRHRSLC6A5ACHEMEN1KMT2A
SCHEMBL2302172 0.84 REV1 (0.52) L3MBTL1GNRHRACHEREV1MEN1
SCHEMBL2350571 0.81 DRD2 (0.55) GNRHRACHEMEN1KMT2AKDM4E
SCHEMBL2347647 0.81 KDM4E (0.54) GNRHRACHEKMT2AKDM4EALDH1A1
SCHEMBL2301114 0.80 ACHE (0.56) GNRHRACHEMEN1KMT2AALDH1A1
SCHEMBL2349416 0.80 KMT2A (0.51) GNRHRACHEKMT2A
SCHEMBL6911739 0.79 SLC6A5 (0.42) GNRHRSLC6A5DDB1CRBNMEN1

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-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
EP-2361912-A1 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GenKyoTex SA (CH) 2011-08-31 EP 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
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 L3MBTL1 4838/4885GNRHR 4390/4885SLC6A5 4724/4885

“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.