SCHEMBL2237347

SCHEMBL2237347

COC(=O)C1CN(Cc2cccnc2)CCC1=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
POLB P06746 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 2/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
TSHR P16473 1/20 0.46
SLC18A3 Q16572 2/20 0.45
SIGMAR1 Q99720 1/20 0.44
CYP3A4 P08684 1/20 0.44
PTPN1 P18031 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
Hydrochloric Acid SCHEMBL28068037 0.86 TACR1 (0.51) SIGMAR1
SCHEMBL1339973 0.86 TACR1 (0.53) SIGMAR1
SCHEMBL30994721 0.86 TACR1 (0.53) SIGMAR1
Hydrochloric Acid SCHEMBL719130 0.84 TACR1 (0.54) SIGMAR1
SCHEMBL27880036 0.81 ALDH1A1 (0.47) ALDH1A1MAPTHTTPOLBKDM4E
SCHEMBL10751557 0.81 ALDH1A1 (0.47) ALDH1A1MAPTPOLBKDM4EMAPK1
SCHEMBL28454520 0.80 ALDH1A1 (0.60) ALDH1A1MAPTHTTPOLBKDM4E
SCHEMBL30435479 0.80 ALDH1A1 (0.60) ALDH1A1MAPTHTTPOLBKDM4E
SCHEMBL21061907 0.80 ALDH1A1 (0.60) ALDH1A1MAPTHTTPOLBKDM4E
SCHEMBL30435373 0.80 ALDH1A1 (0.60) ALDH1A1MAPTHTTPOLBKDM4E

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-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
EP-2536723-A1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex SA (CH) 2012-12-26 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
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
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 ALDH1A1 109/4885MAPT 1706/4885HTT 3965/4885

“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.