SCHEMBL4322764

SCHEMBL4322764

CCn1c(C)cc(=O)n1C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 8/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
OPRL1 P41146 2/20 0.37
OPRM1 P35372 1/20 0.37
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
CYP1A2 P05177 1/20 0.35
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
NR1I2 O75469 1/20 0.34
KDM4B O94953 1/20 0.34

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
SCHEMBL4318546 0.79 ALDH1A1 (0.41) TSHRALDH1A1GSK3AGSK3BMAPK1
SCHEMBL4331843 0.77 NAPRT (0.39) TSHRALDH1A1GSK3AGSK3BMAPK1
SCHEMBL4325823 0.69 GSK3A (0.36) TSHRALDH1A1GSK3AGSK3BOPRL1
SCHEMBL4329837 0.69 CNR2 (0.38) TSHRALDH1A1GSK3AGSK3BOPRL1
SCHEMBL4752960 0.67 NAPRT (0.53) ALOX15ALDH1A1OPRL1OPRM1MAPK1
SCHEMBL4332440 0.67 TSHR (0.35) TSHRALOX15ALDH1A1GSK3AGSK3B
SCHEMBL11840108 0.64 JAK2 (0.47) TSHRALOX15ALDH1A1GSK3AGSK3B
SCHEMBL11724195 0.63 ALDH1A1 (0.44) TSHRALOX15ALDH1A1GSK3AGSK3B
SCHEMBL4325586 0.63 CNR2 (0.36) ALDH1A1GSK3AGSK3BOPRL1OPRM1
SCHEMBL4763682 0.61 ALDH1A1 (0.49) TSHRALOX15ALDH1A1GSK3AGSK3B

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 TSHR 240/4885ALOX15 2892/4885ALDH1A1 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.