SCHEMBL4331073

SCHEMBL4331073

CCn1c(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(Cl)c(=O)n1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KCNH2 Q12809 1/20 0.45
PPARD Q03181 3/20 0.45
PPARA Q07869 2/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
KDM4E B2RXH2 2/20 0.44
DRD4 P21917 3/20 0.44
GRM2 Q14416 1/20 0.44
HTT P42858 1/20 0.42
ADORA1 P30542 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR7 P34969 1/20 0.41
HTR1A P08908 1/20 0.41
SMO Q99835 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 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
SCHEMBL4333350 0.89 SMO (0.52) ALDH1A1KDM4EDRD4HTTCHRNA7
SCHEMBL4327075 0.86 ALDH1A1 (0.47) ALDH1A1KCNH2ADRA1DADRA1AADRA1B
SCHEMBL4322688 0.85 ADRA1D (0.44) ALDH1A1ADRA1DADRA1AADRA1BKDM4E
SCHEMBL4328990 0.84 HTR1A (0.47) ALDH1A1KDM4EDRD4HTTCHRNA7
SCHEMBL4331547 0.84 POLB (0.50) ALDH1A1KDM4EDRD4HTTCHRNA7
SCHEMBL4338271 0.82 HTR1A (0.44) ALDH1A1KDM4EDRD4HTR1A
SCHEMBL4338375 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EDRD4HTTCHRNA7
SCHEMBL4319530 0.80 SMN1; SMN2 (0.52) ALDH1A1ADRA1DADRA1AADRA1BKDM4E
SCHEMBL4324444 0.80 DRD2 (0.57) ALDH1A1KDM4EDRD4
SCHEMBL4335040 0.79 HTR1A (0.44) ALDH1A1KDM4EDRD4HTR7HTR1A

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 1785/4885KCNH2 610/4885PPARD 363/4885

“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.