SCHEMBL3614756

SCHEMBL3614756

COc1ccccc1N1CCN(CCCCOc2cc3ccccn3n2)CC1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.71
DRD3 P35462 15/20 0.71
DRD4 P21917 13/20 0.71
DRD1 P21728 11/20 0.65
HTR2A P28223 10/20 0.65
HTR1A P08908 2/20 0.64
ADRA1A P35348 2/20 0.64
DRD5 P21918 1/20 0.64
ADRA1D P25100 1/20 0.64
HTR2C P28335 1/20 0.64
ADRA1B P35368 1/20 0.64
HTR2B P41595 1/20 0.64
SLC6A2 P23975 1/20 0.59
SLC6A4 P31645 1/20 0.59
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL4443269 0.95 DRD2 (0.76) DRD2DRD3DRD4DRD1HTR2A
SCHEMBL3614684 0.86 DRD3 (0.88) DRD2DRD3DRD4DRD1HTR2A
SCHEMBL3606509 0.83 DRD3 (1.00) DRD2DRD3DRD4DRD1HTR2A
SCHEMBL16425998 0.83 DRD3 (0.69) DRD2DRD3DRD4DRD1HTR2A
SCHEMBL16425993 0.81 DRD2 (0.66) DRD2DRD3DRD4ALDH1A1KDM4E
SCHEMBL16426008 0.80 DRD2 (0.65) DRD2DRD3DRD4
SCHEMBL16425991 0.80 DRD2 (0.65) DRD2DRD3DRD4
SCHEMBL3611612 0.79 DRD2 (1.00) DRD2DRD3DRD4DRD1HTR2A
Oxalic Acid SCHEMBL15203952 0.78 DRD3 (0.63) DRD2DRD3DRD4DRD1HTR2A
SCHEMBL16425990 0.78 DRD2 (0.62) DRD2DRD3DRD4SLC6A4ALDH1A1

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.