SCHEMBL4332574

SCHEMBL4332574

Cn1[nH]c(=O)c(Br)c1C(c1ccccc1)N1CCC2(CC1)C(=O)N(O)CC2c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.38
OPRD1 P41143 6/20 0.38
OPRK1 P41145 6/20 0.38
OPRL1 P41146 6/20 0.38
CYP2D6 P10635 3/20 0.33
CYP3A4 P08684 3/20 0.33
USP2 O75604 2/20 0.33
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 1/20 0.33
BLM P54132 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 1/20 0.32
NAMPT P43490 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC6A9 P48067 1/20 0.31
SLC1A2 P43004 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL4322962 0.78 SLC6A9 (0.48) OPRM1OPRL1SLC6A9
SCHEMBL4318276 0.71 SLC6A9 (0.42) OPRM1OPRL1SLC6A9
SCHEMBL4322682 0.71 OPRK1 (0.52) OPRM1OPRD1OPRK1OPRL1
SCHEMBL4332571 0.70 RXFP1 (0.37) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL4331690 0.70 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL4341092 0.69 OPRL1 (0.41) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL4318217 0.68 ADRA1D (0.40) OPRM1OPRD1OPRK1OPRL1
SCHEMBL4341190 0.68 OPRL1 (0.43) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL4322415 0.68 OPRM1 (0.69) OPRM1OPRD1OPRK1OPRL1
SCHEMBL4330985 0.68 SMN1; SMN2 (0.44) OPRM1OPRD1OPRK1OPRL1CYP2D6

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 OPRM1 264/4885OPRD1 178/4885OPRK1 169/4885

“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.