SCHEMBL4338172

SCHEMBL4338172

Cn1c(CN2CCC(COCc3cccc(Cl)c3)CC2)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
HPN P05981 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
HGFAC Q04756 1/20 0.44
ST14 Q9Y5Y6 1/20 0.44
DRD2 P14416 2/20 0.42
DRD4 P21917 1/20 0.42
BCHE P06276 1/20 0.41
SLC6A2 P23975 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
SCHEMBL4318476 0.91 F2 (0.45) F2F10HPNPRSS1PRSS2
SCHEMBL4326843 0.90 DRD2 (0.42) ALDH1A1F2F10HPNPRSS1
SCHEMBL4331270 0.85
SCHEMBL4329427 0.81 HRH3 (0.43) HTTDRD2DRD4
SCHEMBL8255614 0.80 DRD2 (0.43) ALDH1A1DRD2DRD4
SCHEMBL4325722 0.80 CCR3 (0.52) ALDH1A1GAAATMSLC6A2SLC6A4
SCHEMBL4455998 0.79 HTR1A (0.53) KDM4EALDH1A1GAASIGMAR1
SCHEMBL4333294 0.77 HRH3 (0.46) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL4325804 0.76 FAAH (0.41) DRD2DRD4BCHESIGMAR1
SCHEMBL4319479 0.74 MAPT (0.44) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 US 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-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders GRIN1, GRM1, GRIN3A KDM4E 3662/4885ALDH1A1 1785/4885GLA 4351/4885

“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.