SCHEMBL4331115

SCHEMBL4331115

Cn1c(CN2CCN(c3ccc(C#N)cn3)CC2)c(Cl)c(=O)n1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR39 O43194 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
CHRM4 P08173 3/20 0.45
PARP1 P09874 4/20 0.45
SMO Q99835 5/20 0.43
HTR7 P34969 1/20 0.41
PANK3 Q9H999 1/20 0.41
CHRM2 P08172 2/20 0.41
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL4331319 0.83 DRD4 (0.52) CHRM4SMOCHRM2CHRM1
SCHEMBL4320070 0.80 ALDH1A1 (0.56) HTR7
SCHEMBL4333241 0.80 SMN1; SMN2 (0.51) HTR7
SCHEMBL4325686 0.79 DRD2 (0.58) HTR7
SCHEMBL4327122 0.78 DRD4 (0.46) CHRM4PARP1
SCHEMBL4334981 0.77 KCNH2 (0.55)
SCHEMBL4332484 0.77 SMN1; SMN2 (0.56) HTR7
SCHEMBL4325798 0.76 DRD4 (0.56) HTR7
SCHEMBL8260671 0.75 ALDH1A1 (0.50) HTR7
SCHEMBL4325976 0.75 ALDH1A1 (0.50) HTR7

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 GPR39 145/4885PDE3B 1736/4885PDE3A 1449/4885

“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.