SCHEMBL4334485

SCHEMBL4334485

Cn1[nH]c(=O)c(Br)c1C(OC(=O)C1(c2ccccc2)CCN(Cc2ccccc2)CC1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.45
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
OPRM1 P35372 6/20 0.41
OPRD1 P41143 5/20 0.41
OPRK1 P41145 5/20 0.41
SLC22A1 O15245 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
KCNH2 Q12809 1/20 0.39
OPRL1 P41146 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4322729 0.85 KCNA3 (0.40) KCNA3OPRM1OPRD1OPRK1SLC22A1
SCHEMBL4319367 0.82 ATM (0.52) KCNA3OPRM1OPRD1OPRK1SLC22A1
SCHEMBL4334115 0.72 OPRL1 (0.48) NPSR1OPRM1OPRD1OPRK1KCNH2
SCHEMBL6746046 0.72 KDM4E (0.60) KCNA3KDM4ENPSR1OPRM1OPRD1
SCHEMBL4341092 0.71 OPRL1 (0.41) OPRM1OPRD1OPRK1ADRA1AOPRL1
SCHEMBL11282136 0.70 OPRM1 (0.80) KCNA3KDM4ENPSR1OPRM1OPRD1
SCHEMBL4341190 0.70 OPRL1 (0.43) OPRM1OPRD1OPRK1OPRL1
SCHEMBL4330985 0.70 SMN1; SMN2 (0.44) OPRM1OPRD1OPRK1SLC6A4OPRL1
SCHEMBL2789658 0.69 KDM4E (0.61) KCNA3KDM4ENPSR1OPRM1OPRD1
SCHEMBL5330651 0.68 CYP2D6 (0.61) KCNA3KDM4ENPSR1OPRM1OPRD1

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 KCNA3 403/4885KDM4E 3662/4885NPSR1 55/4885

“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.