SCHEMBL13629892

SCHEMBL13629892

COCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc(C)c3C#N)CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.65
HTR2A P28223 20/20 0.65
DRD3 P35462 20/20 0.65
HTR1A P08908 1/20 0.53
DRD1 P21728 1/20 0.53
DRD4 P21917 1/20 0.53
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53

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
SCHEMBL4495598 1.00 DRD2 (0.65) DRD2HTR2ADRD3HTR1ADRD1
SCHEMBL13629886 0.86 DRD2 (0.67) DRD2HTR2ADRD3HTR1ADRD1
SCHEMBL4495734 0.86 DRD2 (0.67) DRD2HTR2ADRD3HTR1ADRD1
SCHEMBL13629891 0.80 DRD2 (0.47) DRD2HTR2ADRD3HTR1ADRD1
SCHEMBL4495607 0.80 DRD2 (0.47) DRD2HTR2ADRD3HTR1ADRD1
SCHEMBL9934158 0.79 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL12081019 0.79 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL9934155 0.79 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL12081020 0.79 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL9934315 0.78 DRD2 (1.00) DRD2HTR2ADRD3

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 2 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 disclosed
US-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-11-19 US 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 4/4885HTR2A 225/4885DRD3 1/4885

“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.