SCHEMBL4325830

SCHEMBL4325830

Fc1ccc(OCCC2CCNCC2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.46
ITGA2B P08514 6/20 0.46
SLC6A2 P23975 4/20 0.46
SLC6A4 P31645 4/20 0.46
HTR3A P46098 2/20 0.46
KCNH2 Q12809 2/20 0.46
SLC6A3 Q01959 3/20 0.43
CHEK2 O96017 1/20 0.42
NFE2L2 Q16236 1/20 0.42
KDM1A O60341 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40

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
Hydrochloric Acid SCHEMBL4147694 0.98 ITGB3 (0.45) ITGB3ITGA2BSLC6A2SLC6A4HTR3A
SCHEMBL4329812 0.83 ITGB3 (0.49) ITGB3ITGA2BSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL31752671 0.83 KDM1A (0.48) ITGB3ITGA2BSLC6A2SLC6A4HTR3A
Hydrochloric Acid SCHEMBL4139630 0.81 TDP1 (0.50) ITGB3ITGA2BSLC6A2SLC6A4SLC6A3
SCHEMBL12205066 0.81 ITGB3 (0.46) ITGB3ITGA2BSLC6A2SLC6A4HTR3A
Hydrochloric Acid SCHEMBL31753720 0.81 PARP10 (0.59) ITGB3ITGA2BCHEK2
SCHEMBL12719194 0.80 ITGB3 (0.45) ITGB3ITGA2BSLC6A2SLC6A4HTR3A
SCHEMBL4326032 0.80 NPY1R (0.50) ITGB3ITGA2BCHEK2NFE2L2TDP1
SCHEMBL4321291 0.79 KDM4E (0.48) ITGB3ITGA2BSLC6A2SLC6A4HTR3A
SCHEMBL13144596 0.79 ITGB3 (0.46) ITGB3ITGA2BSLC6A2SLC6A4HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators ASTRAZENECA AB (SE) 2009-07-30 US disclosed
US-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators ASTRAZENECA AB (SE) 2009-07-30 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
WO-2007115077-A2 BICYCLIC BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2007-10-11 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 (2 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-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 ITGB3 2724/4885ITGA2B 2099/4885SLC6A2 1422/4885
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders GRIN1, GRM1, GRIN3A ITGB3 4464/4885ITGA2B 4258/4885SLC6A2 400/4885

“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.