SCHEMBL2237372

SCHEMBL2237372

COC(=O)C1(Cc2ccccc2)CN(Cc2ccc(Cl)cc2)CCC1=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.45
TACR1 P25103 1/20 0.45
TACR3 P29371 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
CYP2D6 P10635 1/20 0.43
DRD4 P21917 1/20 0.42
OPRL1 P41146 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL1618300 0.94 NR3C1 (0.48) NR3C1TACR1TACR3ALDH1A1KDM4E
SCHEMBL6908693 0.88 NR3C1 (0.45) NR3C1TACR1ALDH1A1KDM4ESIGMAR1
SCHEMBL21465773 0.85 CYP2D6 (0.46) NR3C1ALDH1A1KDM4ECYP2D6GAA
SCHEMBL12487550 0.81 ABL1 (0.45) NR3C1ALDH1A1KDM4ECYP2D6LMNA
SCHEMBL5265862 0.80 CYP2D6 (0.44) NR3C1TACR1TACR3ALDH1A1KDM4E
SCHEMBL5265856 0.80 CYP2D6 (0.44) NR3C1TACR1TACR3ALDH1A1KDM4E
SCHEMBL5233110 0.79 CYP2D6 (0.43) NR3C1TACR1TACR3ALDH1A1KDM4E
SCHEMBL5233107 0.79 CYP2D6 (0.43) NR3C1TACR1TACR3ALDH1A1KDM4E
SCHEMBL2039023 0.75 TACR1 (0.44) TACR1TACR3ALDH1A1LMNAMEN1
SCHEMBL191606 0.75 DRD2 (0.59) ALDH1A1SIGMAR1CYP2D6DRD4LMNA

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 11 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

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 NR3C1 1247/4885TACR1 3160/4885TACR3 3537/4885

“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.