SCHEMBL13630500

SCHEMBL13630500

N#CCCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(C#N)c3)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 0.59
DRD2 P14416 9/20 0.59
CHRM4 P08173 2/20 0.51
HTR2A P28223 2/20 0.51

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
SCHEMBL4492927 1.00 DRD3 (0.59) DRD3DRD2CHRM4HTR2A
SCHEMBL13630298 0.95 DRD2 (0.57) DRD3DRD2CHRM4HTR2A
SCHEMBL4495028 0.95 DRD2 (0.57) DRD3DRD2CHRM4HTR2A
SCHEMBL4484507 0.91 DRD2 (0.64) DRD3DRD2CHRM4HTR2A
SCHEMBL13630505 0.91 DRD2 (0.64) DRD3DRD2CHRM4HTR2A
SCHEMBL13629930 0.91 DRD2 (0.61) DRD3DRD2CHRM4HTR2A
SCHEMBL4489599 0.91 DRD2 (0.61) DRD3DRD2CHRM4HTR2A
SCHEMBL13630256 0.89 DRD3 (0.53) DRD3DRD2HTR2A
SCHEMBL4481668 0.89 DRD3 (0.53) DRD3DRD2HTR2A
Bp-14979 SCHEMBL24005999 0.88 DRD2 (0.63) DRD3DRD2CHRM4HTR2A

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 DRD3 1/4885DRD2 4/4885CHRM4 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.