SCHEMBL3847039

SCHEMBL3847039

NC1CCC(CCN2CCN(c3cc(C(F)(F)F)ccc3F)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.53
HTR1A P08908 2/20 0.51
FFAR4 Q5NUL3 1/20 0.47
SLC6A2 P23975 2/20 0.46
SLC6A3 Q01959 1/20 0.46
DRD3 P35462 6/20 0.44
HTR2A P28223 1/20 0.44
ADRA1B P35368 1/20 0.39
DRD1 P21728 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL3849868 0.86 DRD2 (0.56) DRD2HTR1ADRD3HTR2AADRA1B
SCHEMBL3847035 0.85 FFAR4 (0.51) DRD2HTR1AFFAR4SLC6A2SLC6A3
SCHEMBL3847616 0.85 DRD2 (0.61) DRD2HTR1ASLC6A2DRD3HTR2A
SCHEMBL3844138 0.85 HTR1A (0.55) DRD2HTR1AFFAR4SLC6A2SLC6A3
SCHEMBL3851104 0.84 DRD2 (0.54) DRD2HTR1AFFAR4DRD3HTR2A
SCHEMBL3847633 0.82 DRD2 (0.56) DRD2HTR1ADRD3HTR2AADRA1B
SCHEMBL4496655 0.81 DRD2 (0.54) DRD2HTR1AFFAR4DRD3HTR2A
SCHEMBL13630520 0.81 DRD2 (0.54) DRD2HTR1AFFAR4DRD3HTR2A
SCHEMBL3847619 0.81 DRD2 (0.65) DRD2HTR1ADRD3HTR2A
SCHEMBL3853796 0.80 FFAR4 (0.50) DRD2HTR1AFFAR4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038268-B1 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2015-11-04 EP claimed
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 4/4885HTR1A 192/4885FFAR4 506/4885

“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.