SCHEMBL2344980

SCHEMBL2344980

O=c1c2c([nH]n1CCN1CCOCC1)CN(Cc1ccc(Cl)cc1)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
DRD4 P21917 4/20 0.41
DRD2 P14416 3/20 0.41
DRD3 P35462 2/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SLC6A5 Q9Y345 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PARP1 P09874 1/20 0.39
MEN1 O00255 2/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR3A P46098 1/20 0.39
ATM Q13315 1/20 0.39
RCE1 Q9Y256 1/20 0.39

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
SCHEMBL2302234 0.91 AKR1C3 (0.43) AKR1C3NPC1RAB9ADRD4DRD2
SCHEMBL2351975 0.90 SIGMAR1 (0.46) DRD4DRD2DRD3KMT2ASLC6A5
SCHEMBL2347851 0.90 KDM4E (0.48) DRD4DRD2DRD3ALDH1A1SLC6A5
SCHEMBL2348282 0.90 MEN1 (0.41) DRD4DRD2KMT2ASLC6A5PARP1
SCHEMBL2348972 0.88 MEN1 (0.52) DRD4DRD2DRD3ALDH1A1KMT2A
SCHEMBL2351132 0.86 DRD4 (0.43) DRD4DRD2DRD3ALDH1A1KMT2A
SCHEMBL6912067 0.83 CLPP (0.43) DRD4DRD2DRD3ALDH1A1KMT2A
SCHEMBL2349760 0.83 DRD4 (0.44) DRD4DRD2DRD3ALDH1A1KMT2A
SCHEMBL2354358 0.82 SLC6A5 (0.54) KMT2ASLC6A5MEN1ATMRCE1
SCHEMBL2352968 0.82 SLC6A5 (0.54) KMT2ASLC6A5MEN1ATMRCE1

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 AKR1C3 362/4885NPC1 1531/4885RAB9A 2296/4885

“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.