SCHEMBL3844486

SCHEMBL3844486

CC(=O)CN1CCC(CCN2CCN(c3ccc(C)c(C#N)c3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.48
DRD3 P35462 3/20 0.48
CHRM4 P08173 7/20 0.44
CHRM2 P08172 3/20 0.41
CHRM1 P11229 2/20 0.41
AR P10275 1/20 0.40

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
SCHEMBL3847430 0.89 CHRM4 (0.54) DRD2DRD3CHRM4CHRM2CHRM1
Hydrochloric Acid SCHEMBL28782169 0.88 CHRM4 (0.54) DRD2DRD3CHRM4CHRM2CHRM1
SCHEMBL3848178 0.87 DRD2 (0.60) DRD2DRD3
SCHEMBL3843632 0.85 DRD2 (0.51) DRD2DRD3
SCHEMBL3845301 0.84 DRD2 (0.50) DRD2DRD3CHRM2CHRM1
SCHEMBL3844960 0.84 CHRM4 (0.50) DRD2DRD3CHRM4CHRM2
SCHEMBL3844609 0.82 DRD2 (0.58) DRD2DRD3CHRM4CHRM2CHRM1
SCHEMBL3846267 0.82 DRD2 (0.48) DRD2DRD3CHRM2CHRM1AR
SCHEMBL3848987 0.82 DRD2 (0.50) DRD2DRD3CHRM2CHRM1
SCHEMBL3845956 0.81 DRD2 (0.54) DRD2DRD3

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 13 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
CN-101511805-A As dopamine D3Novel carbonylated (aza) cyclohexanes with receptor ligands BIOPROJET SOC CIV (FR) 2009-08-19 CN 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
CN-101511805-B As dopamine D3Novel carbonylated (aza) cyclohexanes with receptor ligands BIOPROJET SOC CIV 2013-10-30 CN 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
CN-101511805-A As dopamine D3Novel carbonylated (aza) cyclohexanes with receptor ligands BIOPROJET SOC CIV (FR) 2009-08-19 CN 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 1/4885CHRM4 170/4885

“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.