SCHEMBL3853546

SCHEMBL3853546

CC(=O)CN1CCC(CCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55
DRD2 P14416 2/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.50
CHRM2 P08172 3/20 0.49
CA2 P00918 3/20 0.48
CA1 P00915 2/20 0.48
CA7 P43166 2/20 0.48
CHRM1 P11229 1/20 0.47
HTR7 P34969 1/20 0.47
DEGS1 O15121 1/20 0.47
NOTUM Q6P988 1/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
CHRM4 P08173 1/20 0.45

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
SCHEMBL3845062 0.88 DRD2 (0.52) DRD2DRD3
SCHEMBL3851253 0.88 DRD2 (0.52) DRD2DRD4DRD3HTR7
SCHEMBL5540273 0.88 CA2 (0.56) DRD2DRD4CA2CA1CA7
SCHEMBL3845956 0.87 DRD2 (0.54) DRD2DRD4DRD3CA2CA1
SCHEMBL3843977 0.87 POLB (0.60) DRD2DRD3HTR7CHRM4
SCHEMBL3844427 0.86 DRD2 (0.57) SLC6A2SLC6A4DRD2DRD4DRD3
SCHEMBL4493184 0.85 DRD2 (0.47) SLC6A2SLC6A4DRD2DRD4DRD3
SCHEMBL3852930 0.84 DRD2 (0.49) DRD2DRD3
SCHEMBL3850625 0.84 DRD2 (0.49) DRD2DRD3
SCHEMBL3851377 0.84 DRD2 (0.47) DRD2DRD3HTR7

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
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
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 SLC6A2 315/4885SLC6A4 563/4885DRD2 4/4885

“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.