SCHEMBL3611072

SCHEMBL3611072

Clc1ccccc1N1CCN(CCCCOc2cccn3ccnc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.58
DRD3 P35462 4/20 0.58
DRD4 P21917 2/20 0.58
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
HTR1A P08908 2/20 0.49
HTR2A P28223 2/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL4450992 0.94 ALDH1A1 (0.57) DRD2DRD3DRD4KDM4ELMNA
SCHEMBL3615992 0.93 DRD2 (0.69) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL3612087 0.88 ALDH1A1 (0.62) DRD2DRD3DRD4KDM4ELMNA
SCHEMBL3618095 0.80 DRD2 (0.86) DRD2DRD3DRD4CYP1A2CYP2D6
SCHEMBL3616133 0.77 DRD3 (0.58) DRD2DRD3DRD4KDM4ELMNA
SCHEMBL1114573 0.75 DRD2 (0.52) DRD2DRD3DRD4CYP1A2CYP2D6
SCHEMBL3613041 0.75 DRD2 (0.61) DRD2DRD3DRD4KDM4ELMNA
SCHEMBL9183816 0.74 TSHR (0.54) DRD2DRD3DRD4CYP1A2CYP2D6
SCHEMBL3614783 0.74 DRD2 (1.00) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL3612031 0.74 DRD2 (0.88) DRD2DRD3DRD4HTR1AHTR2A

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.