SCHEMBL3612294

SCHEMBL3612294

COc1ccccc1N1CCN(CCCCOc2cccn3ncc(C=O)c23)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.74
DRD4 P21917 14/20 0.74
DRD3 P35462 14/20 0.74
DRD1 P21728 13/20 0.72
HTR2A P28223 13/20 0.72
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HTR1A P08908 3/20 0.54
ADRA1D P25100 2/20 0.54
HTR2C P28335 2/20 0.54
ADRA1A P35348 2/20 0.54
ADRA1B P35368 2/20 0.54
HTR2B P41595 2/20 0.54
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 1/20 0.53
NLRP1 Q9C000 1/20 0.53

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
SCHEMBL3612031 0.90 DRD2 (0.88) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL3609686 0.85 DRD2 (1.00) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL3615975 0.84 DRD2 (1.00) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL3615512 0.83 DRD2 (1.00) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL3618867 0.81 DRD2 (0.93) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL3614806 0.80 DRD2 (0.71) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL3606786 0.80 DRD4 (0.73) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL3609757 0.77 DRD2 (0.73) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL8720336 0.75 ALDH1A1 (0.72) DRD2DRD3HTR2AALDH1A1KDM4E
SCHEMBL8724501 0.75 ALDH1A1 (0.72) DRD2DRD3HTR2AALDH1A1KDM4E

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 123/4885DRD4 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.