SCHEMBL4331333

SCHEMBL4331333

CCn1c(CN2CCC(C/C=C\c3ccc(F)cc3)CC2)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.43
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
HTR2B P41595 3/20 0.43
DRD2 P14416 2/20 0.43
ACHE P22303 2/20 0.42
BCHE P06276 1/20 0.42
CCR3 P51677 1/20 0.37
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35

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
SCHEMBL4331328 1.00 SIGMAR1 (0.43) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL4331336 1.00 SIGMAR1 (0.43) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL4334477 0.89 SIGMAR1 (0.45) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL4334486 0.89 SIGMAR1 (0.45) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL4339343 0.89 SIGMAR1 (0.45) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL4324555 0.80 SLC6A3 (0.41) DRD2SLC6A3
SCHEMBL4330903 0.76 HRH3 (0.44) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL4321333 0.76 ACHE (0.42) SIGMAR1DRD2ACHESLC6A4SLC6A3
SCHEMBL4327350 0.75 TEAD1 (0.41) SIGMAR1DRD2ACHEBCHE
SCHEMBL4318814 0.75 DRD2 (0.42) SIGMAR1HTR2AHTR2CHTR2BDRD2

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 1 patent. 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

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 SIGMAR1 247/4885HTR2A 136/4885HTR2C 106/4885

“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.