SCHEMBL4327136

SCHEMBL4327136

CCC(=O)N(c1ccccc1)C1CCN(Cc2c(Br)c(=O)n(-c3ccccc3)n2C)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.61
SIGMAR1 Q99720 2/20 0.61
OPRL1 P41146 1/20 0.57
CHRM3 P20309 2/20 0.56
OPRD1 P41143 2/20 0.56
SLC22A1 O15245 1/20 0.56
NR1I2 O75469 1/20 0.56
ABCB1 P08183 1/20 0.56
CHRM1 P11229 1/20 0.56
DRD2 P14416 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
MAOA P21397 1/20 0.56
DRD4 P21917 1/20 0.56
MAOB P27338 1/20 0.56
ADRA1A P35348 1/20 0.56
HRH1 P35367 1/20 0.56
ADRA1B P35368 1/20 0.56
DRD3 P35462 1/20 0.56
OPRK1 P41145 1/20 0.56

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
SCHEMBL4319479 0.82 MAPT (0.44)
SCHEMBL27692169 0.80 L3MBTL1 (0.44)
SCHEMBL5317082 0.79 ALDH1A1 (0.54)
SCHEMBL4318131 0.77 DRD2 (0.47) SIGMAR1DRD2DRD4ADRA1BDRD3
SCHEMBL6045571 0.77 OPRM1 (1.00) OPRM1SIGMAR1OPRL1CHRM3OPRD1
SCHEMBL2675826 0.76 OPRM1 (0.60) OPRM1SIGMAR1OPRL1CHRM3OPRD1
Hydrochloric Acid SCHEMBL29651340 0.76 OPRM1 (0.97) OPRM1SIGMAR1OPRL1CHRM3OPRD1
SCHEMBL4340795 0.75 CCR8 (0.41)
SCHEMBL4325722 0.75 CCR3 (0.52) KCNH2
SCHEMBL23823806 0.75 OPRM1 (0.79) OPRM1SIGMAR1OPRL1CHRM3OPRD1

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 4 patents. 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
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
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
WO-2006071730-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ASTRAZENECA AB (SE) 2006-07-06 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-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders GRIN1, GRM1, GRIN3A OPRM1 264/4885SIGMAR1 247/4885OPRL1 96/4885

“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.