SCHEMBL8258571

SCHEMBL8258571

Cn1c(CN2CCC3(CC2)C(=O)Cc2ccccc23)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
MAPT P10636 1/20 0.39
EGLN1 Q9GZT9 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
BCHE P06276 1/20 0.33
PTGS2 P35354 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL13914043 0.88 SIGMAR1 (0.39) SIGMAR1HTR2AHTR2CHTR2BEGLN1
SCHEMBL28766784 0.79 MAPT (0.39) MAPTEGLN1SMN1; SMN2HTR1AOPRM1
SCHEMBL4332982 0.78 OPRL1 (0.41) MAPTOPRM1OPRK1
SCHEMBL8256755 0.78 MCHR2 (0.43)
SCHEMBL4324265 0.78 OPRL1 (0.50) SIGMAR1MAPTOPRM1ALDH1A1
SCHEMBL4341087 0.77 ADRA1D (0.43) MAPTHTR7OPRM1OPRK1
SCHEMBL4331687 0.77 EGLN1 (0.48) MAPTEGLN1
SCHEMBL8259826 0.77 MAPT (0.44) MAPTSMN1; SMN2BCHEPTGS2ALDH1A1
SCHEMBL4324271 0.77 ALDH1A1 (0.48) SIGMAR1MAPTSMN1; SMN2KCNH2ALDH1A1
SCHEMBL8257304 0.76 SIGMAR1 (0.44) SIGMAR1MAPTSMN1; SMN2BCHEPTGS2

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
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 SIGMAR1 247/4885HTR2A 136/4885HTR2C 106/4885

“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.