SCHEMBL4334188

SCHEMBL4334188

c1cncc(CCCC2CCNCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.53
CHRM1 P11229 2/20 0.53
CHRNB2 P17787 2/20 0.53
CHRM3 P20309 2/20 0.53
CHRNA4 P43681 2/20 0.53
HRH3 Q9Y5N1 3/20 0.52
CYP2A6 P11509 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HRH1 P35367 2/20 0.47
HRH4 Q9H3N8 1/20 0.47
SLC6A4 P31645 2/20 0.46
SLC6A2 P23975 1/20 0.46
CHRNA7 P36544 1/20 0.45
TBXAS1 P24557 2/20 0.44
PTAFR P25105 1/20 0.44
GBA1 P04062 1/20 0.44

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
SCHEMBL17064309 0.89 CYP2A6 (0.58) HRH3CYP2A6TDP1L3MBTL1HRH1
SCHEMBL7427487 0.86 CYP2A6 (0.54) HRH3CYP2A6TDP1L3MBTL1HRH1
SCHEMBL7407607 0.84 CYP2A6 (0.53) HRH3CYP2A6TDP1L3MBTL1HRH1
SCHEMBL6569542 0.84 CYP2A6 (0.53) HRH3CYP2A6TDP1L3MBTL1HRH1
SCHEMBL38663623 0.81 GBA1 (0.62) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL2279484 0.81 GBA1 (0.62) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL4325779 0.81 HRH3 (0.54) HRH3HRH1HRH4SLC6A4GBA1
SCHEMBL82734 0.80 GBA1 (0.61) HRH3SLC6A4GBA1
SCHEMBL5392180 0.80 LMNA (0.55) PTAFR
Hydrochloric Acid SCHEMBL3301662 0.80 GBA1 (0.61) CHRM2CHRM1CHRNB2CHRM3CHRNA4

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 CHRM2 103/4885CHRM1 44/4885CHRNB2 132/4885

“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.