SCHEMBL4335243

SCHEMBL4335243

Cc1ccc(Cl)cc1N1CCN(Cc2c(OC(F)F)c(=O)n(-c3ccccc3)n2C)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 2/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
USP2 O75604 1/20 0.43
HTR1A P08908 1/20 0.42
MAPT P10636 6/20 0.42
TP53 P04637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
THRB P10828 1/20 0.39
ADAM17 P78536 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
MAPK1 P28482 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
SCHEMBL4331178 0.90 ADRA1D (0.49) ADRA1BADRA1DADRA1AUSP2HTR1A
SCHEMBL4329536 0.89 ADRA1B (0.48) ADRA1BADRA1DADRA1ASMN1; SMN2ALDH1A1
SCHEMBL4327270 0.87 ADRA1B (0.46) ADRA1BADRA1DADRA1ASMN1; SMN2ALDH1A1
SCHEMBL4324667 0.85 SMN1; SMN2 (0.53) ADRA1BADRA1DADRA1ASMN1; SMN2ALDH1A1
SCHEMBL4332957 0.80 ADRA1D (0.54) ADRA1BADRA1DADRA1AUSP2HTR1A
SCHEMBL8259509 0.79 ALDH1A1 (0.52) ADRA1BADRA1DADRA1ASMN1; SMN2ALDH1A1
SCHEMBL4327017 0.78 ALDH1A1 (0.48) ADRA1BADRA1DADRA1ASMN1; SMN2ALDH1A1
SCHEMBL4319935 0.77 SMN1; SMN2 (0.53) ADRA1BADRA1DADRA1ASMN1; SMN2ALDH1A1
SCHEMBL4320102 0.77 ADRA1B (0.52) ADRA1BADRA1DADRA1ASMN1; SMN2ALDH1A1
SCHEMBL4332467 0.77 ADRA1D (0.51) ADRA1BADRA1DADRA1AUSP2HTR1A

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 ADRA1B 224/4885ADRA1D 192/4885ADRA1A 186/4885

“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.