SCHEMBL3603449

SCHEMBL3603449

Clc1ccccc1N1CCN(CCCCOc2ccn3ncc(I)c3c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 17/20 0.67
DRD2 P14416 17/20 0.67
DRD4 P21917 15/20 0.67
DRD1 P21728 11/20 0.67
HTR2A P28223 11/20 0.67
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
KCNH2 Q12809 2/20 0.51

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
SCHEMBL3607677 0.93 DRD2 (0.77) DRD3DRD2DRD4DRD1HTR2A
SCHEMBL4564412 0.93 DRD2 (0.72) DRD3DRD2DRD4DRD1HTR2A
SCHEMBL3617165 0.91 DRD3 (0.70) DRD3DRD2DRD4DRD1HTR2A
SCHEMBL3617430 0.88 DRD3 (0.67) DRD3DRD2DRD4DRD1HTR2A
SCHEMBL3622814 0.88 DRD3 (0.67) DRD3DRD2DRD4DRD1HTR2A
SCHEMBL3620290 0.88 DRD2 (0.77) DRD3DRD2DRD4DRD1HTR2A
SCHEMBL3607471 0.87 DRD4 (0.65) DRD3DRD2DRD4DRD1HTR2A
SCHEMBL3614511 0.87 DRD3 (0.88) DRD3DRD2DRD4DRD1HTR2A
SCHEMBL3616038 0.87 DRD2 (0.65) DRD3DRD2DRD4DRD1HTR2A
SCHEMBL3611189 0.86 DRD2 (0.88) DRD3DRD2DRD4DRD1HTR2A

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 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.