SCHEMBL4339349

SCHEMBL4339349

CCn1c(CN2CCN(c3ccc(C)cc3C)CC2)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.43
DRD4 P21917 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ABCB1 P08183 2/20 0.42
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR7 P34969 2/20 0.41
HTR1A P08908 1/20 0.41
IGF1R P08069 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
SCHEMBL4465400 0.92 SMN1; SMN2 (0.43) DRD2DRD4SMN1; SMN2HTTPOLB
SCHEMBL4326280 0.88 SMN1; SMN2 (0.44) DRD2DRD4SMN1; SMN2ABCB1HTT
SCHEMBL4341070 0.88 SMN1; SMN2 (0.50) DRD2DRD4SMN1; SMN2HTTPOLB
SCHEMBL4329767 0.85 CHRNA7 (0.50) DRD2DRD4HTTMEN1ALDH1A1
SCHEMBL4334275 0.84 KDM4E (0.46) DRD2DRD4SMN1; SMN2HTTALDH1A1
SCHEMBL4465712 0.81 HTR1A (0.46) POLBLMNAKMT2AHTR7HTR1A
SCHEMBL4332439 0.81 HTR1A (0.57) DRD2DRD4POLBMEN1ALDH1A1
SCHEMBL4329827 0.79 SMN1; SMN2 (0.54) DRD2DRD4SMN1; SMN2HTTPOLB
SCHEMBL4332491 0.79 SMN1; SMN2 (0.54) DRD2DRD4SMN1; SMN2HTTPOLB
SCHEMBL4318386 0.78 ADRA1D (0.49) DRD2DRD4POLBMAPTLMNA

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 DRD2 121/4885DRD4 241/4885SMN1; SMN2 1220/4885

“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.