SCHEMBL4329074

SCHEMBL4329074

COc1cccc(CN2CN(c3ccccc3)C3(CCN(Cc4c(Br)c(=O)n(-c5ccccc5)n4C)CC3)C2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP2C9 P11712 1/20 0.49
OPRL1 P41146 12/20 0.46
OPRM1 P35372 11/20 0.46
OPRD1 P41143 11/20 0.46
OPRK1 P41145 10/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SIGMAR1 Q99720 2/20 0.43
CACNA1F O60840 1/20 0.43
CHRM2 P08172 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
SCHEMBL4338350 0.91 MEN1 (0.49) MEN1CYP3A4CYP2D6KMT2ACYP2C9
SCHEMBL4318199 0.90 OPRM1 (0.53) MEN1CYP3A4CYP2D6KMT2ACYP2C9
SCHEMBL4330043 0.89 OPRM1 (0.51) MEN1CYP3A4CYP2D6KMT2ACYP2C9
SCHEMBL4330963 0.85 OPRM1 (0.52) MEN1CYP3A4CYP2D6KMT2ACYP2C9
SCHEMBL4327419 0.85 OPRM1 (0.50) MEN1CYP3A4CYP2D6KMT2ACYP2C9
SCHEMBL4326521 0.84 MEN1 (0.51) MEN1CYP3A4CYP2D6KMT2AOPRL1
SCHEMBL4331160 0.84 OPRL1 (0.49) MEN1CYP3A4CYP2D6KMT2ACYP2C9
SCHEMBL4322675 0.84 OPRM1 (0.51) MEN1CYP3A4CYP2D6KMT2ACYP2C9
SCHEMBL13914015 0.81 DRD2 (0.55) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL4329472 0.81 OPRL1 (0.55) MEN1CYP3A4CYP2D6KMT2ACYP2C9

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 MEN1 3300/4885CYP3A4 1909/4885CYP2D6 2016/4885

“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.