SCHEMBL3614804

SCHEMBL3614804

O=Cc1cnn2c(OCCCCN3CCN(c4ccccc4Cl)CC3)cccc12

nearest known ligand 0.89

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 16/20 0.89
DRD2 P14416 15/20 0.89
DRD4 P21917 14/20 0.89
HTR2A P28223 9/20 0.60
DRD1 P21728 8/20 0.60
KCNH2 Q12809 2/20 0.48
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
HTR1A P08908 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
SCHEMBL3612107 0.94 DRD2 (1.00) DRD3DRD2DRD4HTR2ADRD1
SCHEMBL3606786 0.88 DRD4 (0.73) DRD3DRD2DRD4HTR2ADRD1
SCHEMBL3614378 0.80 DRD2 (0.88) DRD3DRD2DRD4HTR2ADRD1
SCHEMBL3611189 0.79 DRD2 (0.88) DRD3DRD2DRD4HTR2ADRD1
SCHEMBL3611252 0.78 DRD2 (0.82) DRD3DRD2DRD4HTR2ADRD1
SCHEMBL3608700 0.78 DRD3 (0.88) DRD3DRD2DRD4HTR2ADRD1
SCHEMBL3612031 0.77 DRD2 (0.88) DRD3DRD2DRD4HTR2ADRD1
SCHEMBL3618443 0.76 DRD2 (1.00) DRD3DRD2DRD4HTR2ADRD1
SCHEMBL3613900 0.75 DRD2 (1.00) DRD3DRD2DRD4HTR2ADRD1
SCHEMBL3619139 0.75 DRD2 (0.93) 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 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 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.