SCHEMBL3848845

SCHEMBL3848845

COc1ccccc1N1CCN(CCC2CCC(N)CC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.66
DRD3 P35462 4/20 0.66
SLC6A2 P23975 1/20 0.58
SLC6A4 P31645 1/20 0.58
ADRA1D P25100 1/20 0.57
ADRA1A P35348 1/20 0.57
ADRA1B P35368 1/20 0.57
HTR1A P08908 1/20 0.57
HTR2C P28335 3/20 0.56

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
SCHEMBL30855296 1.00 DRD2 (0.66) DRD2DRD3SLC6A2SLC6A4ADRA1D
SCHEMBL30855329 0.88 DRD2 (0.66) DRD2DRD3SLC6A2SLC6A4ADRA1D
SCHEMBL3848840 0.85 DRD2 (0.61) DRD2DRD3HTR1AHTR2C
Hydrochloric Acid SCHEMBL4076895 0.84 DRD2 (0.53) DRD2DRD3SLC6A2SLC6A4ADRA1D
Hydrochloric Acid SCHEMBL4076893 0.84 DRD2 (0.53) DRD2DRD3SLC6A2SLC6A4ADRA1D
SCHEMBL4082053 0.83 DRD2 (0.57) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL4502971 0.83 DRD2 (0.65) DRD2DRD3ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL3329691 0.81 DRD2 (0.63) DRD2DRD3SLC6A4ADRA1DADRA1A
Hydrochloric Acid SCHEMBL3329696 0.81 DRD2 (0.63) DRD2DRD3SLC6A4ADRA1DADRA1A
SCHEMBL3847619 0.81 DRD2 (0.65) DRD2DRD3HTR1A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802678-B2 Carbonylated (aza) cyclohexanes as dopamine D3 receptor ligands BIOPROJET (FR) 2014-08-12 US claimed
US-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-11-19 US claimed
EP-2038268-A2 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-03-25 EP claimed
WO-2007148208-A2 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-27 WO claimed
EP-2038268-B1 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2015-11-04 EP disclosed
US-8802678-B2 Carbonylated (aza) cyclohexanes as dopamine D3 receptor ligands BIOPROJET (FR) 2014-08-12 US disclosed
US-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-11-19 US disclosed
EP-2038268-A2 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-03-25 EP disclosed
WO-2007148208-A2 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-27 WO 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-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS DRD3, TACR2, TACR1 DRD2 4/4885DRD3 1/4885SLC6A2 315/4885

“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.