SCHEMBL4322941

SCHEMBL4322941

Cc1c(Cl)cccc1N1CCN(Cc2c(Cl)c(=O)n(C3CCCC3)n2C)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.46
HTR2C P28335 4/20 0.46
SLC6A4 P31645 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
DRD2 P14416 9/20 0.41
DRD3 P35462 9/20 0.41
DRD4 P21917 2/20 0.41
ADAMTS5 Q9UNA0 2/20 0.40
HTR1A P08908 2/20 0.40
ADAM17 P78536 1/20 0.39
PTPN11 Q06124 1/20 0.39

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
SCHEMBL4329525 0.90 KDM4E (0.46) DRD2DRD3DRD4HTR1A
SCHEMBL4339048 0.88 HTR2A (0.44) HTR2AHTR2CSLC6A4SMN1; SMN2DRD2
SCHEMBL8259362 0.82 ALDH1A1 (0.54) SMN1; SMN2ADAMTS5HTR1A
SCHEMBL4339177 0.82 ADRA1D (0.49) SMN1; SMN2HTR1A
SCHEMBL4326743 0.82 HTR1A (0.45) SMN1; SMN2DRD2DRD4HTR1A
SCHEMBL4325610 0.82 ALDH1A1 (0.56) SMN1; SMN2ADAMTS5HTR1A
SCHEMBL4325955 0.80 DRD2 (0.54) SMN1; SMN2DRD2DRD3DRD4HTR1A
SCHEMBL4329762 0.78 ADRA1D (0.49) DRD2DRD4HTR1A
SCHEMBL4319822 0.78 CYP3A4 (0.37) HTR2ADRD2DRD3DRD4HTR1A
SCHEMBL4325914 0.77 ADRA1D (0.49) DRD2DRD4HTR1A

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 3 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
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

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 HTR2A 136/4885HTR2C 106/4885SLC6A4 248/4885

“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.