SCHEMBL13630387

SCHEMBL13630387

N#Cc1cccc(N2CCN(CC[C@H]3CC[C@H](NC(=O)C4=CCCC4)CC3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.52
DRD3 P35462 13/20 0.52
CHRM4 P08173 2/20 0.49
HTR2A P28223 1/20 0.49

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
SCHEMBL13630246 0.87 DRD2 (0.54) DRD2DRD3HTR2A
SCHEMBL13630224 0.87 DRD2 (0.68) DRD2DRD3
SCHEMBL14346739 0.87 DRD2 (0.68) DRD2DRD3
SCHEMBL13630389 0.85 DRD2 (0.52) DRD2DRD3CHRM4HTR2A
SCHEMBL13630263 0.85 DRD2 (0.69) DRD2DRD3HTR2A
SCHEMBL13629881 0.85 DRD2 (0.58) DRD2DRD3
SCHEMBL14347027 0.84 DRD2 (0.54) DRD2DRD3HTR2A
SCHEMBL13630237 0.84 DRD2 (0.54) DRD2DRD3HTR2A
SCHEMBL13629903 0.84 DRD2 (0.66) DRD2DRD3HTR2A
SCHEMBL13629911 0.83 DRD2 (0.52) DRD2DRD3HTR2A

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 4/4885DRD3 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.