SCHEMBL3611604

SCHEMBL3611604

Clc1ccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.70
DRD3 P35462 15/20 0.70
DRD4 P21917 13/20 0.70
HTR2A P28223 12/20 0.64
DRD1 P21728 10/20 0.64
DRD5 P21918 5/20 0.60
HTR1A P08908 3/20 0.58
SIGMAR1 Q99720 2/20 0.58
TMEM97 Q5BJF2 1/20 0.58
HRH2 P25021 1/20 0.53
HRH1 P35367 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
HTR7 P34969 1/20 0.51
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL4449758 0.95 DRD2 (0.65) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL3614855 0.89 DRD3 (0.66) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL3617086 0.88 DRD2 (0.72) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL3653325 0.88 DRD2 (0.65) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL3612201 0.85 DRD2 (0.86) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL4441975 0.85 DRD2 (0.73) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL3603446 0.84 DRD3 (0.66) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL3615538 0.82 DRD3 (1.00) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL3615769 0.82 DRD2 (0.80) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL3610595 0.81 DRD2 (0.62) DRD2DRD3DRD4HTR2ADRD1

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 123/4885DRD3 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.