SCHEMBL4331832

SCHEMBL4331832

CC(C)c1c(CN2CCC(c3ccccc3)CC2)n(C)n(-c2ccccc2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
ADORA3 P0DMS8 1/20 0.50
PTGS2 P35354 4/20 0.49
NR1I2 O75469 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
DRD2 P14416 3/20 0.45
GRM2 Q14416 1/20 0.44
DRD4 P21917 3/20 0.44
DRD3 P35462 2/20 0.43
POLB P06746 1/20 0.43
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
SLC18A3 Q16572 1/20 0.42
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
SCHEMBL4318131 0.84 DRD2 (0.47) MEN1KMT2ADRD2GRM2DRD4
SCHEMBL4327983 0.82 DRD2 (0.45) MEN1KMT2ADRD2GRM2DRD4
SCHEMBL4328079 0.78 DRD2 (0.43) LMNAKMT2ADRD2GRM2DRD4
SCHEMBL13913957 0.78 GRM2 (0.43) MEN1KMT2ADRD2GRM2DRD4
SCHEMBL13913961 0.77 PARP1 (0.41)
SCHEMBL4455968 0.76 MEN1 (0.40) MEN1KMT2ADRD2GRM2DRD4
SCHEMBL4330943 0.75 HTR1A (0.55) CYP2C9CYP2C19MEN1KMT2ADRD2
SCHEMBL4325925 0.75 MEN1 (0.48) MEN1KMT2ADRD2GRM2DRD4
SCHEMBL3526669 0.73 LMNA (0.65) LMNAADORA3PTGS2NR1I2CYP3A4
SCHEMBL11287540 0.73 LMNA (0.65) LMNAADORA3PTGS2NR1I2CYP3A4

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 LMNA 4231/4885ADORA3 101/4885PTGS2 2640/4885

“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.