SCHEMBL3853464

SCHEMBL3853464

NC1CCC(CCN2CCN(c3ccc(Cl)cc3F)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.60
DRD3 P35462 6/20 0.46
DRD1 P21728 1/20 0.46
GRM2 Q14416 2/20 0.46
DRD4 P21917 2/20 0.46
ALDH1A1 P00352 1/20 0.45
HTR1A P08908 2/20 0.45
HTR2A P28223 2/20 0.45
SLC6A2 P23975 4/20 0.45
SLC6A4 P31645 3/20 0.45
SLC6A3 Q01959 2/20 0.43
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42

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
SCHEMBL3847616 0.91 DRD2 (0.61) DRD2DRD3DRD1GRM2DRD4
SCHEMBL17226467 0.88 GRM2 (0.48) DRD2DRD3DRD1GRM2DRD4
SCHEMBL3846981 0.88 DRD2 (0.56) DRD2DRD3DRD1GRM2HTR1A
SCHEMBL3849814 0.85 DRD2 (0.54) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL3853456 0.85 DRD2 (0.50) DRD2DRD3ALDH1A1
SCHEMBL3847633 0.83 DRD2 (0.56) DRD2DRD3DRD1DRD4HTR1A
SCHEMBL3849868 0.82 DRD2 (0.56) DRD2DRD3DRD1DRD4HTR1A
SCHEMBL3847619 0.82 DRD2 (0.65) DRD2DRD3DRD4ALDH1A1HTR1A
SCHEMBL3851104 0.81 DRD2 (0.54) DRD2DRD3DRD1DRD4ALDH1A1
SCHEMBL4082053 0.80 DRD2 (0.57) DRD2DRD3DRD4ALDH1A1

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 1/4885DRD1 12/4885

“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.