SCHEMBL4331319

SCHEMBL4331319

Cn1c(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(Cl)c(=O)n1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.52
GRM2 Q14416 1/20 0.52
ALDH1A1 P00352 2/20 0.51
ACHE P22303 1/20 0.46
CHRM2 P08172 2/20 0.45
CHRM1 P11229 2/20 0.45
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 6/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
CHRM4 P08173 1/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMO Q99835 2/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL4322710 0.89 ALDH1A1 (0.52) DRD4GRM2ALDH1A1CHRM2CHRM1
SCHEMBL4318192 0.86 GRM2 (0.57) DRD4GRM2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4331115 0.83 GPR39 (0.46) CHRM2CHRM1CHRM4SMO
SCHEMBL4320070 0.80 ALDH1A1 (0.56) DRD4ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL4330719 0.80 ALDH1A1 (0.44) DRD4GRM2ALDH1A1ACHEPPARD
SCHEMBL4334471 0.79 ALDH1A1 (0.50) DRD4GRM2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4339034 0.79 HSD11B1 (0.61) ALDH1A1PPARG
SCHEMBL4327163 0.79 ALDH1A1 (0.49) DRD4ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL4327122 0.78 DRD4 (0.46) DRD4ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL4334981 0.77 KCNH2 (0.55) DRD4ALDH1A1KMT2ASMN1; SMN2MAPT

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 DRD4 241/4885GRM2 6/4885ALDH1A1 1785/4885

“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.