SCHEMBL4332432

SCHEMBL4332432

COc1ccc(Cl)cc1N1CCN(C(C)c2c(Cl)c(=O)n(-c3ccc(OC(F)(F)F)cc3)n2C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
MCHR1 Q99705 2/20 0.37
NPBWR1 P48145 1/20 0.37
HTR6 P50406 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
ADRA1D P25100 6/20 0.36
ADRA1A P35348 6/20 0.36
ADRA1B P35368 6/20 0.36
HTR1A P08908 2/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35

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
SCHEMBL8257268 0.90 TP53 (0.38) MCHR1NPBWR1LMNAMAPTTSHR
SCHEMBL4327044 0.89 LMNA (0.48) CYP2C9HDAC1HDAC6HTR3EHTR3B
SCHEMBL4326923 0.87 ADRA1D (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4328496 0.85 GAA (0.39) MCHR1NPBWR1LMNAMAPTTRPV4
SCHEMBL4334313 0.82 ADRA1D (0.43) CYP2C9HDAC1HDAC6HTR3EHTR3B
SCHEMBL4329543 0.81 TRPV1 (0.35) MCHR1NPBWR1HTR2AHCRTR1HCRTR2
SCHEMBL4326847 0.77 HTR1A (0.48) LMNAMAPTTSHRHTR1A
SCHEMBL4319074 0.77 AR (0.43) CYP2C9LMNAMAPTTSHR
SCHEMBL4331155 0.76 ALDH1A1 (0.41) LMNAMAPTADRA1AADRA1BHTR1A
SCHEMBL4325711 0.75 TRPV1 (0.33) MCHR1NPBWR1HTR2A

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 CYP2C9 2698/4885HDAC1 1245/4885HDAC6 1801/4885

“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.