SCHEMBL4335273

SCHEMBL4335273

Cn1c(CN2CCN(CCCc3ccccc3)CC2)c(Cl)c(=O)n1C1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 1/20 0.48
CCR3 P51677 1/20 0.48
SIGMAR1 Q99720 3/20 0.47
KAT2B Q92831 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
CHRM3 P20309 1/20 0.43

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
SCHEMBL8260225 0.89 ACHE (0.44) SIGMAR1DRD2
SCHEMBL13914116 0.86 SIGMAR1 (0.46) KDM4EALDH1A1KMT2ACCR3SIGMAR1
SCHEMBL4329525 0.81 KDM4E (0.46) KDM4EALDH1A1KMT2ADRD2DRD4
SCHEMBL4339177 0.76 ADRA1D (0.49) KMT2A
SCHEMBL4322941 0.76 HTR2A (0.46) DRD2DRD4DRD3
SCHEMBL4332406 0.76 HRH3 (0.43) SIGMAR1DRD2DRD4DRD3CHRM3
SCHEMBL4331976 0.75 ACHE (0.47) SIGMAR1OPRM1DRD2
SCHEMBL4325955 0.75 DRD2 (0.54) KDM4EALDH1A1KMT2ADRD2DRD4
SCHEMBL4326702 0.75 HTR7 (0.41) KMT2AOPRM1OPRK1CHRM3
SCHEMBL4330893 0.75 OPRM1 (0.51) OPRM1OPRL1DRD2DRD4DRD3

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 3 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
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

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 KDM4E 3662/4885ALDH1A1 1785/4885KMT2A 2407/4885

“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.