SCHEMBL4494150

SCHEMBL4494150

CC(=O)CN1CCC(CCN2CCN(c3cccc4ccccc34)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.53
DRD3 P35462 8/20 0.53
DRD4 P21917 2/20 0.53
HTR1A P08908 7/20 0.48
HTR2A P28223 5/20 0.48
HTR2C P28335 2/20 0.48
HTR7 P34969 2/20 0.47
HTR6 P50406 1/20 0.47
ABCB11 O95342 1/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46
DRD5 P21918 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
HTR2B P41595 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL14346713 0.89 DRD2 (0.47) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL3845174 0.85 DRD2 (0.59) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL3863328 0.85 DRD2 (0.57) DRD2DRD3HTR7ADRA1A
SCHEMBL3853618 0.85 DRD2 (0.53) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL3844931 0.84 DRD2 (0.57) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL3845111 0.84 GAA (0.55) DRD2DRD3HTR2AHTR2CKCNH2
SCHEMBL14346902 0.84 DRD2 (0.47) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL3851246 0.84 KDM4E (0.55)
SCHEMBL3846104 0.83 HTR2A (0.47) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL3844687 0.82 DRD3 (0.47) DRD2DRD3DRD4HTR1AHTR2A

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 8 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-1870405-A1 Carbonylated (Aza)cyclohexanes as dopamine D3 receptor ligands BIOPROJET (FR) 2007-12-26 EP 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 1/4885DRD4 8/4885

“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.