SCHEMBL4328880

SCHEMBL4328880

CCn1c(CN2CCC3(CC2)C(=O)N(Cc2ccc(Cl)cc2)N=C3C2CC2)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 8/20 0.38
OPRL1 P41146 1/20 0.35
HSD11B1 P28845 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
C5AR1 P21730 1/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DRD4 P21917 2/20 0.32
DOCK5 Q9H7D0 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL4319333 0.80 SIGMAR1 (0.40) CXCR3OPRL1MEN1KMT2ADRD2
SCHEMBL4324383 0.79 HSD11B1 (0.37) CXCR3OPRL1HSD11B1CYP3A4
SCHEMBL4318605 0.73 OPRL1 (0.35) CXCR3OPRL1HSD11B1
SCHEMBL4323012 0.73 DRD2 (0.39) CXCR3OPRL1HSD11B1MEN1KMT2A
SCHEMBL13914043 0.72 SIGMAR1 (0.39) HSD11B1
SCHEMBL4328886 0.71 ALDH1A1 (0.36) CXCR3OPRL1CYP3A4KDM4EALDH1A1
SCHEMBL4318372 0.71 DRD2 (0.34) OPRL1HSD11B1DRD2
SCHEMBL4325201 0.71 ACHE (0.40) MEN1KMT2AALDH1A1L3MBTL1DRD4
SCHEMBL4334661 0.70 DRD2 (0.33) OPRL1HSD11B1DRD2
SCHEMBL4329852 0.70 DRD2 (0.33) OPRL1HSD11B1DRD2

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 CXCR3 1700/4885OPRL1 96/4885HSD11B1 2257/4885

“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.