SCHEMBL4332498

SCHEMBL4332498

CCn1c(CN2CCN(c3cccc(C)c3C)CC2)c(Cl)c(=O)n1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.62
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ABCB1 P08183 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 4/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 2/20 0.43
ALOX15 P16050 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
SCHEMBL4319530 0.93 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1ABCB1LMNAKDM4E
SCHEMBL4324444 0.89 DRD2 (0.57) SMN1; SMN2ALDH1A1KDM4EDRD2DRD4
SCHEMBL4326777 0.88 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL8258032 0.85 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1ABCB1LMNAKDM4E
SCHEMBL4326280 0.85 SMN1; SMN2 (0.44) SMN1; SMN2ABCB1POLBDRD2DRD4
SCHEMBL4324863 0.84 MTOR (0.44) SMN1; SMN2ALDH1A1KDM4EDRD2DRD4
SCHEMBL4335040 0.83 HTR1A (0.44) SMN1; SMN2ALDH1A1KDM4EDRD2DRD4
SCHEMBL4332112 0.83 DRD2 (0.58) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4322688 0.83 ADRA1D (0.44) SMN1; SMN2ALDH1A1KDM4EDRD2DRD4
SCHEMBL4338271 0.82 HTR1A (0.44) SMN1; SMN2ALDH1A1KDM4EDRD2DRD4

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 6 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
EP-1833800-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006071730-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ASTRAZENECA AB (SE) 2006-07-06 WO disclosed
WO-2006071730-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ASTRAZENECA AB (SE) 2006-07-06 WO 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 SMN1; SMN2 1220/4885ALDH1A1 1785/4885MEN1 3300/4885

“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.