SCHEMBL4330043

SCHEMBL4330043

Cn1c(CN2CCC3(CC2)C(=O)N(Cc2cccc(Cl)c2)CN3c2ccccc2)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.51
OPRD1 P41143 12/20 0.51
OPRK1 P41145 12/20 0.51
OPRL1 P41146 12/20 0.51
MEN1 O00255 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP2C9 P11712 1/20 0.44
DRD2 P14416 1/20 0.43
DRD3 P35462 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
SCHEMBL4318199 0.93 OPRM1 (0.53) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL4330963 0.91 OPRM1 (0.52) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL4329074 0.89 MEN1 (0.49) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL4327419 0.88 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL4326521 0.87 MEN1 (0.51) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL4331160 0.87 OPRL1 (0.49) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL4338350 0.86 MEN1 (0.49) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL4322675 0.85 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL13914015 0.82 DRD2 (0.55) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL4329472 0.82 OPRL1 (0.55) OPRM1OPRD1OPRK1OPRL1MEN1

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
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
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

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.