SCHEMBL428017

SCHEMBL428017

Cc1ccc2c(c1CC=O)OCC(=O)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.40
PARP1 P09874 1/20 0.38
DRD2 P14416 6/20 0.37
DRD4 P21917 5/20 0.37
DRD3 P35462 5/20 0.37
NR3C2 P08235 2/20 0.36
PKM P14618 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
NSD2 O96028 2/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
HTR1A P08908 2/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL427031 0.87 MMP12 (0.39) MMP12PARP1DRD2DRD4DRD3
SCHEMBL24427465 0.74 MMP12 (0.45) MMP12PARP1DRD2DRD4DRD3
SCHEMBL3139145 0.74 BRD4 (0.44) PKMBRD4HTR1AHTR1DHTR1B
SCHEMBL4182404 0.74 SMYD3 (0.43) PARP1DRD2HTR1AHTR1DHTR1B
SCHEMBL1851941 0.70 CREBBP (0.58) MMP12PARP1DRD2NR3C2PKM
SCHEMBL8301820 0.69 MMP12 (0.50) MMP12PARP1DRD2DRD4DRD3
SCHEMBL8197651 0.68 MMP12 (0.45) MMP12PARP1DRD2DRD4DRD3
SCHEMBL8198141 0.68 MMP12 (0.42) MMP12PARP1DRD2DRD4DRD3
SCHEMBL11912374 0.66 DRD2 (0.42) MMP12PARP1DRD2DRD4DRD3
SCHEMBL8307023 0.66 DRD2 (0.38) PARP1DRD2DRD4DRD3NR3C2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 US disclosed
CN-101048414-B Fused tricyclic derivatives for the treatment of psychotic disorders GLAXO GROUP LTD 2011-09-07 CN disclosed
CN-101048414-A Fused tricyclic derivatives for the treatment of psychotic disorders GLAXO GROUP LTD (GB) 2007-10-03 CN disclosed
EP-1786822-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-05-23 EP disclosed
WO-2006024517-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-03-09 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-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GABBR1, GABRQ, GABRE MMP12 4861/4885PARP1 1100/4885DRD2 5/4885

“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.