SCHEMBL4326702

SCHEMBL4326702

CC(=O)C1(c2ccccc2)CCN(Cc2c(Cl)c(=O)n(C3CCCCC3)n2C)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.41
TACR1 P25103 3/20 0.40
TACR2 P21452 2/20 0.40
TACR3 P29371 2/20 0.40
KCNA3 P22001 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SLC18A3 Q16572 1/20 0.37
CHRM2 P08172 2/20 0.37
CHRM3 P20309 2/20 0.37
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
CHRM1 P11229 1/20 0.36
CXCR3 P49682 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL4319719 0.91 SLC18A3 (0.49) KCNA3HRH3SLC18A3OPRM1OPRD1
SCHEMBL4328915 0.89 SLC18A3 (0.41) KCNA3HRH3SLC18A3CHRM2CHRM3
SCHEMBL4330893 0.83 OPRM1 (0.51) HRH3OPRM1OPRD1
SCHEMBL4319358 0.78 RECQL (0.44) HTR7TACR1TACR2TACR3KCNA3
SCHEMBL4329525 0.77 KDM4E (0.46) HTR7MEN1KMT2A
SCHEMBL4327288 0.76 OPRL1 (0.58) OPRM1OPRD1OPRK1
SCHEMBL4335273 0.75 KDM4E (0.48) CHRM3OPRM1OPRK1KMT2A
SCHEMBL4336104 0.74 TACR2 (0.42) HTR7TACR1TACR2TACR3KCNA3
SCHEMBL4339177 0.73 ADRA1D (0.49) HTR7MEN1KMT2A
SCHEMBL8260225 0.73 ACHE (0.44) HRH3SLC18A3

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 HTR7 97/4885TACR1 230/4885TACR2 223/4885

“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.