SCHEMBL4340798

SCHEMBL4340798

Cn1[nH]c(=O)c(Br)c1C(c1ccccc1)N1CCC(C(=O)Oc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.41
USP2 O75604 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 4/20 0.37
ELANE P08246 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.34
TP53 P04637 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
SCHEMBL5317078 0.87 KDM4E (0.50) ALDH1A1TSHRMAPTKMT2AMEN1
SCHEMBL4322972 0.85 KDM4E (0.39) ALDH1A1TSHRCYP2C19MAPTKDM4E
SCHEMBL4326974 0.77 CHRM3 (0.41) KMT2AMEN1KDM4EPOLB
SCHEMBL4327141 0.75 OPRM1 (0.55) OPRD1SLC6A3
SCHEMBL4331215 0.75 BCHE (0.44)
SCHEMBL4331366 0.74 OPRD1 (0.41) ALDH1A1KMT2AMEN1POLBOPRD1
SCHEMBL4323029 0.73 HDAC4 (0.43) OPRD1
SCHEMBL4341092 0.73 OPRL1 (0.41) USP2CYP3A4CYP1A2ALDH1A1CYP2D6
SCHEMBL4324437 0.72 MEN1 (0.41) KMT2AMEN1OPRD1
SCHEMBL4341190 0.71 OPRL1 (0.43) USP2CYP3A4CYP1A2ALDH1A1CYP2D6

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 MGLL 3539/4885USP2 3668/4885CYP3A4 1909/4885

“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.