SCHEMBL4334345

SCHEMBL4334345

COc1c(CN2CCN(c3ccccc3)CC2)n(C)n(-c2ccccc2)c1=O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
LMNA P02545 3/20 0.49
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DRD3 P35462 3/20 0.46
DRD4 P21917 1/20 0.46
MEN1 O00255 1/20 0.45
ALOX15 P16050 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR7 P34969 2/20 0.45
DRD2 P14416 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
KDM4E B2RXH2 3/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
CHRNA7 P36544 1/20 0.43
USP2 O75604 1/20 0.43
THRB P10828 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
SCHEMBL4325736 0.93 DRD4 (0.51) MAPTLMNAALDH1A1SMN1; SMN2DRD3
SCHEMBL4319859 0.90 USP2 (0.58) MAPTLMNAALDH1A1SMN1; SMN2SIGMAR1
SCHEMBL4326025 0.90 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2DRD3DRD4HTR7
SCHEMBL4318710 0.89 HTR1A (0.58) ALDH1A1DRD3DRD4MEN1KMT2A
SCHEMBL4327983 0.83 DRD2 (0.45) ALDH1A1DRD3DRD4MEN1KMT2A
SCHEMBL4329536 0.83 ADRA1B (0.48) MAPTLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL4332957 0.83 ADRA1D (0.54) MAPTLMNADRD3DRD4DRD2
SCHEMBL4335032 0.83 SMN1; SMN2 (0.55) MAPTLMNAALDH1A1SMN1; SMN2DRD3
SCHEMBL4320070 0.82 ALDH1A1 (0.56) MAPTALDH1A1SMN1; SMN2DRD4HTR7
SCHEMBL4324271 0.82 ALDH1A1 (0.48) MAPTLMNAALDH1A1SMN1; SMN2DRD4

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 2 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

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 MAPT 731/4885LMNA 4231/4885ALDH1A1 1785/4885

“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.