SCHEMBL4334396

SCHEMBL4334396

Cn1c(CN2CCN(c3c(Cl)cncc3Cl)CC2)c(Cl)c(=O)n1-c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
POLB P06746 1/20 0.41
DRD2 P14416 5/20 0.40
DRD4 P21917 4/20 0.40
DRD3 P35462 4/20 0.40
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
SMO Q99835 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL4318732 0.91 LSS (0.39) MAPTPOLBDRD2DRD4DRD3
SCHEMBL4330719 0.89 ALDH1A1 (0.44) MAPTDRD2DRD4DRD3ALDH1A1
SCHEMBL4329508 0.88 ALDH1A1 (0.41) MAPTDRD2DRD4DRD3SMN1; SMN2
SCHEMBL4320317 0.86 ALDH1A1 (0.42) POLBALDH1A1TSHRL3MBTL1
SCHEMBL4332386 0.84 SMO (0.54) MAPTPOLBDRD2DRD4DRD3
SCHEMBL4327601 0.83 SMN1; SMN2 (0.47) DRD2DRD4DRD3SMOSMN1; SMN2
SCHEMBL4327598 0.80 SMN1; SMN2 (0.53) MAPTPOLBSMOSMN1; SMN2ALDH1A1
SCHEMBL4324247 0.78 SMN1; SMN2 (0.47) MAPTPOLBDRD2DRD4DRD3
SCHEMBL4327017 0.78 ALDH1A1 (0.48) MAPTSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL4318684 0.76 MAPT (0.51) MAPTDRD2DRD4DRD3HRH1

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 MAPT 731/4885POLB 4059/4885DRD2 121/4885

“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.