SCHEMBL2299490

SCHEMBL2299490

COc1ccc(Cn2[nH]c3c(c2=O)CN(Cc2ccc(C#N)cc2)CC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.47
DRD4 P21917 6/20 0.47
USP2 O75604 3/20 0.46
TSHR P16473 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP1A2 P05177 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 1/20 0.45
CLPP Q16740 4/20 0.44
ACHE P22303 1/20 0.43
DRD3 P35462 4/20 0.43
GABRA1 P14867 1/20 0.42
GABRA2 P47869 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
PRMT5 O14744 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
SCHEMBL2304352 0.91 KMT2A (0.55) DRD2DRD4SMN1; SMN2CLPPACHE
SCHEMBL2302677 0.88 DRD2 (0.46) DRD2DRD4USP2TSHRCYP2C9
SCHEMBL2303283 0.87 ACHE (0.56) DRD2DRD4CLPPACHEDRD3
SCHEMBL2310779 0.87 CLPP (0.46) CLPPACHEGABRA1GABRA2KMT2A
SCHEMBL2302417 0.85 CLPP (0.45) DRD2DRD4CLPPACHEDRD3
SCHEMBL2303773 0.84 KMT2A (0.60) DRD2DRD4CLPPACHEDRD3
SCHEMBL2301627 0.82 DRD2 (0.47) DRD2DRD4CLPPACHEDRD3
SCHEMBL2345722 0.82 DRD2 (0.47) DRD2DRD4CLPPACHEDRD3
SCHEMBL2301158 0.82 CLPP (0.45) USP2TSHRCYP2C9CYP1A2CYP2D6
SCHEMBL2302414 0.82 KMT2A (0.48) DRD2DRD4CLPPACHEDRD3

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 15 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 claimed
EP-2536723-B1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2013-12-11 EP claimed
EP-2536723-A1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex SA (CH) 2012-12-26 EP claimed
US-20120316163-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 US claimed
WO-2011101804-A1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2011-08-25 WO claimed
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
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 DRD2 3465/4885DRD4 3868/4885USP2 3650/4885

“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.