SCHEMBL3844063

SCHEMBL3844063

Cc1ccc(N2CCN(CCC3CCC(N)CC3)CC2)cc1C

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.60
DRD3 P35462 7/20 0.60
DRD4 P21917 5/20 0.51
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47
GAA P10253 1/20 0.45
RAD52 P43351 1/20 0.45
ADRB1 P08588 1/20 0.43

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
SCHEMBL3844453 0.90 DRD2 (0.58) DRD2DRD3HTR1AHTR2A
SCHEMBL3844710 0.89 DRD2 (0.49) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL17226470 0.88 DRD2 (0.61) DRD2DRD3DRD4GAARAD52
SCHEMBL4487040 0.85 DRD2 (0.54) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL3844060 0.84 DRD2 (0.66) DRD2DRD3DRD4
SCHEMBL4501255 0.83 KCNH2 (0.60) DRD2DRD3HTR1AHTR2A
SCHEMBL3848128 0.82 DRD2 (0.60) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL3845422 0.80 DRD2 (0.61) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL3851242 0.80 DRD2 (0.61) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL3848178 0.79 DRD2 (0.60) DRD2DRD3DRD4GAA

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 1/4885DRD4 8/4885

“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.