SCHEMBL4335040

SCHEMBL4335040

CCn1c(CN2CCN(c3ccc(Cl)cc3Cl)CC2)c(Cl)c(=O)n1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.44
DRD2 P14416 3/20 0.43
DRD4 P21917 3/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
HTR7 P34969 1/20 0.41
GRM5 P41594 1/20 0.41
CHRM1 P11229 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TRPV4 Q9HBA0 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
SCHEMBL8258435 0.88 ADRA1D (0.51) HTR1ADRD2DRD4KDM4EMAPT
SCHEMBL4328990 0.88 HTR1A (0.47) HTR1ADRD2DRD4KDM4EMAPT
SCHEMBL4334544 0.87 SMN1; SMN2 (0.50) HTR1ADRD2DRD4SLC6A2SLC6A4
SCHEMBL4326280 0.87 SMN1; SMN2 (0.44) HTR1ADRD2DRD4MAPTSMN1; SMN2
SCHEMBL4319530 0.86 SMN1; SMN2 (0.52) HTR1ADRD2DRD4KDM4ESMN1; SMN2
SCHEMBL4324444 0.86 DRD2 (0.57) DRD2DRD4KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8258032 0.85 SMN1; SMN2 (0.44) HTR1ADRD2DRD4KDM4ESMN1; SMN2
SCHEMBL4325747 0.84 ALDH1A1 (0.47) HTR1AMAPTSMN1; SMN2ALDH1A1
SCHEMBL4338375 0.84 ALDH1A1 (0.44) HTR1ADRD2DRD4KDM4EMAPT
SCHEMBL4324863 0.83 MTOR (0.44) HTR1ADRD2DRD4KDM4ESMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846392-A2 HETEROCYCLIC TRIAZINES AS HYPOXIC SELECTIVE PROTEIN KINASE INHIBITORS Sentinel Oncology Limited (GB) 2007-10-24 EP claimed
WO-2006131835-A2 HETEROCYCLIC TRIAZINES AS HYPOXIC SELECTIVE PROTEIN KINASE INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2006-12-14 WO claimed
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 HTR1A 38/4885DRD2 121/4885DRD4 241/4885

“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.