SCHEMBL4319358

SCHEMBL4319358

CC(=O)C1(c2ccccc2)CCN(Cc2c(Cl)c(=O)n(-c3ccc(Cl)cc3)n2C)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
TACR1 P25103 3/20 0.43
TACR2 P21452 2/20 0.43
TACR3 P29371 2/20 0.43
HTR7 P34969 1/20 0.41
FPR2 P25090 1/20 0.40
CCR3 P51677 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
DRD2 P14416 3/20 0.39
DRD4 P21917 3/20 0.39
DRD3 P35462 3/20 0.39
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
CXCR3 P49682 1/20 0.38
KCNA3 P22001 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL4339419 0.90 RECQL (0.43) RECQLFPR2ADRA1DADRA1AADRA1B
SCHEMBL4331803 0.89 RECQL (0.42) RECQLFPR2CCR3ADRA1DADRA1A
SCHEMBL4336104 0.83 TACR2 (0.42) TACR1TACR2TACR3HTR7ADRA1A
SCHEMBL4324905 0.83 OPRM1 (0.41) DRD3OPRM1OPRD1OPRK1CXCR3
SCHEMBL13914018 0.82 TACR2 (0.41) RECQLTACR1TACR2TACR3HTR7
SCHEMBL4324952 0.82 OPRM1 (0.53) DRD2DRD4DRD3OPRM1OPRD1
SCHEMBL4330930 0.81 OPRM1 (0.41) DRD2DRD3OPRM1OPRD1OPRK1
SCHEMBL4325798 0.79 DRD4 (0.56) HTR7DRD2DRD4DRD3SIGMAR1
SCHEMBL4326702 0.78 HTR7 (0.41) TACR1TACR2TACR3HTR7OPRM1
SCHEMBL4321229 0.76 GAA (0.39) RECQLFPR2OPRM1OPRD1OPRK1

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 6 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
EP-1833800-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS AstraZeneca AB (SE) 2007-09-19 EP 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
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 RECQL 840/4885TACR1 230/4885TACR2 223/4885

“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.