SCHEMBL2346409

SCHEMBL2346409

O=c1c2c([nH]n1Cc1ccc(F)cc1Cl)CN(Cc1cccc(C(F)(F)F)c1)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.45
CLPP Q16740 2/20 0.42
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
BRS3 P32247 1/20 0.41
LMNA P02545 1/20 0.41
P2RX7 Q99572 3/20 0.40
SLC6A5 Q9Y345 1/20 0.39
ADORA1 P30542 1/20 0.39
COMT P21964 1/20 0.39
ACHE P22303 1/20 0.39
CYP3A4 P08684 1/20 0.39
PIM1 P11309 1/20 0.39
PDGFRA P16234 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL2342850 0.89 MEN1 (0.49) CLPPGAAALDH1A1LMNAP2RX7
SCHEMBL2344029 0.85 CLPP (0.47) CLPPGAAALDH1A1P2RX7COMT
SCHEMBL2348109 0.85 COMT (0.44) CLPPGAAKDM4EALDH1A1P2RX7
SCHEMBL2344024 0.83 CYP17A1 (0.50) CLPPALDH1A1P2RX7COMTCYP3A4
SCHEMBL6910908 0.81 KDM4E (0.46) TACR1CLPPGAAKDM4EALDH1A1
SCHEMBL2349699 0.80 COMT (0.40) CLPPALDH1A1P2RX7COMTCYP3A4
SCHEMBL2349570 0.80 CNR2 (0.44) TACR1GAAKDM4EALDH1A1BRS3
SCHEMBL2356234 0.79 MEN1 (0.53) CLPPGAAALDH1A1SLC6A5ACHE
SCHEMBL2358237 0.79 CLPP (0.53) CLPPGAALMNASLC6A5ACHE
SCHEMBL2345802 0.75 MEN1 (0.47) CLPPGAASLC6A5ACHEMEN1

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 10 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
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

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 TACR1 3160/4885CLPP 2482/4885GAA 506/4885

“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.