SCHEMBL4332003

SCHEMBL4332003

Cn1c(CN2CCN(c3ccccc3Cl)CC2)c(Cl)c(=O)n1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
GRM2 Q14416 1/20 0.42
TSHR P16473 1/20 0.41
HTR1A P08908 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PLA2G1B P04054 1/20 0.41
RAB9A P51151 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
NOX4 Q9NPH5 1/20 0.41
DRD1 P21728 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
DRD3 P35462 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 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
SCHEMBL4321301 0.92 MAPK1 (0.47) ALDH1A1SMN1; SMN2DRD2DRD4TSHR
SCHEMBL4326359 0.90 DRD2 (0.48) ALDH1A1SMN1; SMN2DRD2DRD4HTR1A
SCHEMBL8261032 0.88 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2DRD2DRD4HTR1A
SCHEMBL4331305 0.86 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TSHRHTR1AADRA1D
SCHEMBL4327601 0.86 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2DRD2DRD4HTR1A
SCHEMBL4326325 0.85 ADRA1D (0.50) ALDH1A1SMN1; SMN2DRD2DRD4HTR1A
SCHEMBL4332484 0.85 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2DRD2DRD4HTR1A
SCHEMBL4320317 0.85 ALDH1A1 (0.42) ALDH1A1TSHRCHRM2CHRM5CHRM1
SCHEMBL4334313 0.85 ADRA1D (0.43) ALDH1A1DRD2DRD4TSHRHTR1A
SCHEMBL4332560 0.81 HTR7 (0.53) ALDH1A1DRD2DRD4TSHRHTR1A

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 ALDH1A1 1785/4885SMN1; SMN2 1220/4885DRD2 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.