SCHEMBL3849003

SCHEMBL3849003

CC(=O)CN1CCC(CCN2CC=C(c3cc(F)cc(C(F)(F)F)c3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.42
HTR1A P08908 3/20 0.41
SIGMAR1 Q99720 5/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
CXCR3 P49682 2/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
HTR1D P28221 1/20 0.37

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
SCHEMBL3845116 0.86 HTR7 (0.51) HTR7HTR1ASIGMAR1PPARGPPARA
SCHEMBL3848083 0.85 SIGMAR1 (0.55) HTR1ASIGMAR1PPARGPPARADRD2
SCHEMBL3843676 0.82 HTR1D (0.41) HTR7HTR1ASIGMAR1PPARGPPARA
SCHEMBL4485693 0.80 DRD2 (0.54) HTR1ASIGMAR1DRD2DRD3
SCHEMBL4493623 0.79 SIGMAR1 (0.55) HTR1ASIGMAR1PPARGPPARADRD2
SCHEMBL2925103 0.78 HTR1A (0.49) HTR7HTR1ASIGMAR1PPARGPPARA
SCHEMBL13630548 0.78 DRD3 (0.47) HTR7HTR1ACXCR3DRD2DRD3
SCHEMBL4492906 0.78 DRD3 (0.47) HTR7HTR1ACXCR3DRD2DRD3
SCHEMBL3850625 0.77 DRD2 (0.49) DRD2DRD3
SCHEMBL14347034 0.77 DRD2 (0.45) HTR7HTR1ASIGMAR1PPARGPPARA

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-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-11-19 US 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 HTR7 233/4885HTR1A 192/4885SIGMAR1 71/4885

“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.