SCHEMBL4339048

SCHEMBL4339048

COc1c(CN2CCN(c3cccc(Cl)c3C)CC2)n(C)n(C2CCCC2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.44
HTR2C P28335 7/20 0.44
SLC6A4 P31645 7/20 0.44
DRD3 P35462 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
NOX4 Q9NPH5 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HTR7 P34969 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL4322941 0.88 HTR2A (0.46) HTR2AHTR2CSLC6A4DRD3SMN1; SMN2
SCHEMBL8260366 0.84 ALDH1A1 (0.51) SMN1; SMN2MEN1KMT2AADAMTS5HTR1A
SCHEMBL4339053 0.84 ALDH1A1 (0.42) MEN1KMT2AHTR1ADRD2KDM4E
SCHEMBL4332497 0.82 ADRA1D (0.49) HTR1ADRD2KDM4E
SCHEMBL4322814 0.81 KDM4E (0.45) DRD3MEN1KMT2AHTR1ADRD2
SCHEMBL4325887 0.81 ADRA1D (0.48) MEN1KMT2AHTR1ADRD2KDM4E
SCHEMBL4329525 0.79 KDM4E (0.46) DRD3MEN1KMT2AHTR1ADRD2
SCHEMBL4339177 0.77 ADRA1D (0.49) SMN1; SMN2MEN1KMT2AHTR1AHTR7
SCHEMBL4326025 0.74 SMN1; SMN2 (0.50) DRD3SMN1; SMN2NOX4HTR1ADRD2
SCHEMBL4329762 0.73 ADRA1D (0.49) HTR1ADRD2KDM4E

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 HTR2A 136/4885HTR2C 106/4885SLC6A4 248/4885

“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.