SCHEMBL4331160

SCHEMBL4331160

Cn1c(CN2CCC3(CC2)C(=O)N(Cc2ccncc2)CN3c2ccccc2)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 12/20 0.49
OPRM1 P35372 11/20 0.49
OPRD1 P41143 11/20 0.49
OPRK1 P41145 11/20 0.49
BDKRB2 P30411 1/20 0.43
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 1/20 0.42

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 0.94 OPRM1 (0.53) OPRL1OPRM1OPRD1OPRK1BDKRB2
SCHEMBL4322675 0.91 OPRM1 (0.51) OPRL1OPRM1OPRD1OPRK1BDKRB2
SCHEMBL4330963 0.90 OPRM1 (0.52) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL4327419 0.90 OPRM1 (0.50) OPRL1OPRM1OPRD1OPRK1BDKRB2
SCHEMBL4326521 0.90 MEN1 (0.51) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL4338350 0.88 MEN1 (0.49) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL4330043 0.87 OPRM1 (0.51) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL4329472 0.86 OPRL1 (0.55) OPRL1OPRM1OPRD1OPRK1BDKRB2
SCHEMBL13914015 0.84 DRD2 (0.55) OPRL1OPRM1OPRD1OPRK1BDKRB2
SCHEMBL4329074 0.84 MEN1 (0.49) OPRL1OPRM1OPRD1OPRK1MEN1

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 OPRL1 96/4885OPRM1 264/4885OPRD1 178/4885

“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.