SCHEMBL3614855

SCHEMBL3614855

Oc1ccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 12/20 0.66
DRD2 P14416 11/20 0.66
DRD4 P21917 11/20 0.66
HTR2A P28223 10/20 0.66
DRD1 P21728 9/20 0.66
DRD5 P21918 4/20 0.66
SLC6A2 P23975 3/20 0.49
SLC6A4 P31645 3/20 0.49
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HRH1 P35367 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MAOB P27338 3/20 0.47

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
SCHEMBL4449758 0.95 DRD2 (0.65) DRD3DRD2DRD4HTR2ADRD1
SCHEMBL3611604 0.89 DRD2 (0.70) DRD3DRD2DRD4HTR2ADRD1
SCHEMBL3617086 0.88 DRD2 (0.72) DRD3DRD2DRD4HTR2ADRD1
SCHEMBL3653325 0.88 DRD2 (0.65) DRD3DRD2DRD4HTR2ADRD1
SCHEMBL3603446 0.84 DRD3 (0.66) DRD3DRD2DRD4HTR2ADRD1
SCHEMBL4451501 0.83 DRD2 (0.73) DRD3DRD2DRD4HTR2ADRD1
SCHEMBL4441975 0.81 DRD2 (0.73) DRD3DRD2DRD4HTR2ADRD1
SCHEMBL3610595 0.81 DRD2 (0.62) DRD3DRD2DRD4HTR2ADRD1
SCHEMBL3612201 0.81 DRD2 (0.86) DRD3DRD2DRD4HTR2ADRD1
SCHEMBL3615018 0.79 DRD2 (0.60) DRD3DRD2DRD4HTR2ADRD1

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 6 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-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 DRD3 230/4885DRD2 123/4885DRD4 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.