SCHEMBL3610595

SCHEMBL3610595

FC(F)(F)c1cccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.62
DRD3 P35462 5/20 0.62
DRD4 P21917 4/20 0.62
HTR2A P28223 5/20 0.59
DRD1 P21728 3/20 0.59
DRD5 P21918 2/20 0.56
ADRA1A P35348 1/20 0.54
SIGMAR1 Q99720 1/20 0.53
SLC6A4 P31645 2/20 0.52
SLC6A2 P23975 1/20 0.52

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
SCHEMBL4451211 0.89 DRD2 (0.60) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL3603446 0.86 DRD3 (0.66) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL3606567 0.81 DRD2 (0.66) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL3615018 0.81 DRD2 (0.60) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL3614855 0.81 DRD3 (0.66) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL3611604 0.81 DRD2 (0.70) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL3617086 0.80 DRD2 (0.72) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL3653325 0.79 DRD2 (0.65) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL3612914 0.79 DRD2 (0.57) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL11285131 0.77 DRD2 (0.69) DRD2HTR2ASIGMAR1SLC6A4SLC6A2

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
US-20100168125-A1 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS DONSBACH, MARTIN (DE) 2010-07-01 US claimed
EP-2137185-A2 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS Gmeiner, Dr. Peter (DE) 2009-12-30 EP claimed
WO-2008113559-A2 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS SCHWARZ PHARMA AG (DE) 2008-09-25 WO claimed
EP-1972628-A1 Indolizines and aza-analog derivatives thereof as CNS active compounds SCHWARZ PHARMA AG (DE) 2008-09-24 EP claimed
US-20100168125-A1 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS DONSBACH, MARTIN (DE) 2010-07-01 US disclosed
EP-2137185-A2 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS Gmeiner, Dr. Peter (DE) 2009-12-30 EP disclosed
WO-2008113559-A2 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS SCHWARZ PHARMA AG (DE) 2008-09-25 WO disclosed
EP-1972628-A1 Indolizines and aza-analog derivatives thereof as CNS active compounds SCHWARZ PHARMA AG (DE) 2008-09-24 EP 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-20100168125-A1 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS INMT, AANAT, AZI2 DRD2 123/4885DRD3 230/4885DRD4 133/4885

“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.