SCHEMBL4319367

SCHEMBL4319367

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
CCR5 P51681 4/20 0.41
TACR1 P25103 1/20 0.39
RORC P51449 2/20 0.38
KCNA3 P22001 1/20 0.38
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
HSD11B1 P28845 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
OPRM1 P35372 2/20 0.36
SLC22A1 O15245 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
KCNH2 Q12809 1/20 0.36

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 0.84 KCNA3 (0.40) KCNA3OPRD1OPRK1OPRM1SLC22A1
SCHEMBL4334485 0.82 KCNA3 (0.45) KCNA3OPRD1OPRK1OPRM1SLC22A1
SCHEMBL971790 0.73 TSHR (0.65) ATMTSHRALOX15TACR1KCNA3
SCHEMBL3585281 0.73 TACR1 (0.51) ATMTSHRALOX15TACR1RORC
SCHEMBL3585276 0.73 TACR1 (0.51) ATMTSHRALOX15TACR1RORC
SCHEMBL3598652 0.73 TACR1 (0.51) ATMTSHRALOX15TACR1RORC
SCHEMBL972474 0.72 TSHR (0.65) ATMTSHRALOX15CCR5TACR1
SCHEMBL13543984 0.71 TSHR (0.64) ATMTSHRALOX15CCR5TACR1
SCHEMBL14541338 0.70 TACR1 (0.58) ATMTSHRALOX15TACR1
SCHEMBL16130068 0.70 OPRM1 (0.67) ATMTSHRALOX15OPRD1OPRK1

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 ATM 1561/4885TSHR 240/4885ALOX15 2892/4885

“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.