SCHEMBL3852900

SCHEMBL3852900

CC(=O)CN1CCC(CCN2CCN(c3cccc(Cl)c3C#N)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.54
DRD3 P35462 11/20 0.54
GAA P10253 1/20 0.53
HTR1A P08908 2/20 0.49
ADRA2A P08913 2/20 0.49
DRD4 P21917 2/20 0.49
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
HTR7 P34969 2/20 0.49
ADRA1A P35348 2/20 0.49
HRH1 P35367 2/20 0.49
ABCB11 O95342 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD1 P21728 1/20 0.49
DRD5 P21918 1/20 0.49
HTR2B P41595 1/20 0.49
KCNH2 Q12809 1/20 0.49
CHRM4 P08173 1/20 0.48
ADRB1 P08588 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
SCHEMBL3849991 0.89 DRD2 (0.46) DRD2DRD3GAAHTR1AADRA2A
SCHEMBL3845174 0.87 DRD2 (0.59) DRD2DRD3HTR1AADRA2ADRD4
SCHEMBL14347037 0.87 DRD2 (0.57) DRD2DRD3HTR1AADRA2ADRD4
SCHEMBL3844428 0.86 DRD2 (0.70) DRD2DRD3HTR1AADRA2ADRD4
SCHEMBL3848634 0.85 DRD2 (0.58) DRD2DRD3HTR1AADRA2ADRD4
SCHEMBL3845537 0.85 DRD2 (0.57) DRD2DRD3HTR1AADRA2ADRD4
SCHEMBL3848267 0.84 DRD4 (0.52) DRD2DRD3DRD4HTR7CHRM4
SCHEMBL3843708 0.83 DRD2 (0.56) DRD2DRD3HTR1AADRA2ADRD4
SCHEMBL3846186 0.82 DRD2 (0.46) DRD2DRD3HTR1AADRA2ADRD4
SCHEMBL3853791 0.80 MAPT (0.42) DRD2DRD3HTR1ADRD4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-11-19 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 1/4885GAA 1398/4885

“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.