SCHEMBL4465712

SCHEMBL4465712

CCn1c(CN2CCN(c3ccc(OC)cc3OC)CC2)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.46
KDM4E B2RXH2 3/20 0.46
TSHR P16473 2/20 0.46
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
HTR7 P34969 2/20 0.42
ADRA1D P25100 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR2A P28223 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL4332439 0.89 HTR1A (0.57) HTR1AKDM4EPOLBHTR7ADRA1D
SCHEMBL4318386 0.84 ADRA1D (0.49) HTR1AKDM4EPOLBLMNAADRA1D
SCHEMBL4329767 0.82 CHRNA7 (0.50) HTR1AKDM4ETSHRHTR7KMT2A
SCHEMBL4334275 0.81 KDM4E (0.46) HTR1AKDM4ELMNAHTR7ADRA1D
SCHEMBL4339349 0.81 DRD2 (0.43) HTR1APOLBLMNAHTR7KMT2A
SCHEMBL4330975 0.80 KDM4E (0.47) HTR1AKDM4ETSHRPOLBLMNA
SCHEMBL4335940 0.80 KDM4E (0.48) HTR1AKDM4ETSHRPOLBLMNA
SCHEMBL13913982 0.79 KDM4E (0.47) HTR1AKDM4ETSHRPOLBLMNA
SCHEMBL4326476 0.79 HTR1A (0.48) HTR1AKDM4ETSHRHTR7MAPK1
SCHEMBL4471028 0.77 HTR1A (0.57) HTR1AKDM4EPOLBHTR7ADRA1D

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 HTR1A 38/4885KDM4E 3662/4885TSHR 240/4885

“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.