SCHEMBL3613741

SCHEMBL3613741

COc1ccc(N2CCN(CCCCOc3ccn4ncc(C=O)c4c3)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 0.73
DRD4 P21917 17/20 0.73
DRD3 P35462 17/20 0.73
HTR2A P28223 14/20 0.73
DRD1 P21728 12/20 0.73
DRD5 P21918 1/20 0.56
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 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
SCHEMBL3606548 0.90 DRD2 (0.68) DRD2DRD4DRD3HTR2ADRD1
SCHEMBL3613055 0.90 DRD2 (0.72) DRD2DRD4DRD3HTR2ADRD1
SCHEMBL3615975 0.85 DRD2 (1.00) DRD2DRD4DRD3HTR2ADRD1
SCHEMBL3618867 0.82 DRD2 (0.93) DRD2DRD4DRD3HTR2ADRD1
SCHEMBL3606567 0.81 DRD2 (0.66) DRD2DRD4DRD3HTR2ADRD1
SCHEMBL3611189 0.81 DRD2 (0.88) DRD2DRD4DRD3HTR2ADRD1
SCHEMBL3610425 0.81 DRD2 (0.65) DRD2DRD4DRD3HTR2ADRD1
SCHEMBL3652955 0.81 DRD4 (0.50) DRD2DRD4DRD3HTR2ADRD1
SCHEMBL3617535 0.81 DRD2 (0.62) DRD2DRD4DRD3HTR2ADRD1
SCHEMBL3613900 0.79 DRD2 (1.00) DRD2DRD4DRD3HTR2ADRD1

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 3 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
US-20100168125-A1 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS DONSBACH, MARTIN (DE) 2010-07-01 US 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.