SCHEMBL3612920

SCHEMBL3612920

COc1ccccc1N1CCN(CCCCOc2ccn3ncc(CNC(C)=O)c3c2)CC1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.69
DRD4 P21917 20/20 0.69
DRD3 P35462 20/20 0.69
DRD1 P21728 14/20 0.69
HTR2A P28223 13/20 0.69
HTR1A P08908 2/20 0.57
ADRA1D P25100 2/20 0.57
HTR2C P28335 2/20 0.57
ADRA1A P35348 2/20 0.57
ADRA1B P35368 2/20 0.57
HTR2B P41595 2/20 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
SCHEMBL3615568 0.90 DRD2 (0.59) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL3610249 0.88 DRD2 (0.75) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL3616539 0.87 DRD2 (0.68) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL3652955 0.86 DRD4 (0.50) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL3614052 0.86 DRD2 (0.75) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL3607654 0.86 DRD2 (0.75) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL3611750 0.85 DRD2 (0.76) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL3616807 0.83 DRD2 (0.79) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL3620290 0.82 DRD2 (0.77) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL3619811 0.82 DRD2 (0.77) DRD2DRD4DRD3DRD1HTR2A

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 DRD2 123/4885DRD4 133/4885DRD3 230/4885

“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.