SCHEMBL3852908

SCHEMBL3852908

Cc1cccc(C2=CCN(CCC3CCC(C(N)=O)CC3)CC2)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.39
DRD3 P35462 4/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR1D P28221 3/20 0.39
HTR1B P28222 2/20 0.38
GAA P10253 1/20 0.38
JAK1 P23458 1/20 0.37
HTR1A P08908 2/20 0.36
DRD4 P21917 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3852910 0.88 DRD2 (0.42) DRD2DRD3HTR1DHTR1BHTR1A
SCHEMBL8462080 0.86 DRD2 (0.43) DRD2DRD3ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL13629891 0.82 DRD2 (0.47) DRD2DRD3HTR1ADRD4
SCHEMBL4495607 0.82 DRD2 (0.47) DRD2DRD3HTR1ADRD4
SCHEMBL13629909 0.81 DRD2 (0.42) DRD2DRD3HTR1DHTR1B
SCHEMBL3848211 0.79 DRD2 (0.44) DRD2DRD3SMN1; SMN2HTR1DHTR1B
SCHEMBL4483844 0.78 DRD2 (0.58) DRD2DRD3ALDH1A1HTR1ADRD4
SCHEMBL4491127 0.74 HTR1D (0.44) DRD2DRD3HTR1DHTR1B
SCHEMBL4484195 0.73 DRD2 (0.53) DRD2DRD3
SCHEMBL13630573 0.73 DRD2 (0.53) 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 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-1870405-A1 Carbonylated (Aza)cyclohexanes as dopamine D3 receptor ligands BIOPROJET (FR) 2007-12-26 EP 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
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 1/4885ALDH1A1 243/4885

“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.