SCHEMBL4325779

SCHEMBL4325779

c1cc(CCCC2CCNCC2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.54
SLC6A4 P31645 1/20 0.46
NMT1 P30419 4/20 0.45
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
HRH1 P35367 2/20 0.42
NAMPT P43490 1/20 0.41
GBA1 P04062 1/20 0.41
FAAH O00519 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.38

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
SCHEMBL3681167 0.95 HRH3 (0.49) HRH3SLC6A4NMT1ITGB3ITGA2B
SCHEMBL4708456 0.89 HRH3 (0.51) HRH3SLC6A4ITGB3ITGA2BGBA1
SCHEMBL17064317 0.87 HRH1 (0.48) HRH3HRH1HRH4LOXL2
SCHEMBL10774121 0.85 HRH3 (0.43) HRH3NMT1ITGB3ITGA2BHRH1
SCHEMBL82734 0.82 GBA1 (0.61) HRH3SLC6A4ITGB3ITGA2BGBA1
SCHEMBL5048693 0.81 HRH3 (0.41) HRH3SLC6A4NMT1ITGB3ITGA2B
SCHEMBL4334188 0.81 CHRM2 (0.53) HRH3SLC6A4HRH1GBA1HRH4
Hydrochloric Acid SCHEMBL7669421 0.81 GBA1 (0.59) HRH3SLC6A4ITGB3ITGA2BGBA1
SCHEMBL5749309 0.80 HTR2C (0.51) HRH3SLC6A4NMT1ITGB3ITGA2B
SCHEMBL5048704 0.80 CYP2D6 (0.37) HRH3HRH1GBA1HRH4LOXL2

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
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

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 HRH3 262/4885SLC6A4 248/4885NMT1 2469/4885

“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.