SCHEMBL4495748

SCHEMBL4495748

O=CC(=O)CCN1CCC(CCN2CCN(c3cccc4c3CCC4)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 18/20 0.43
DRD3 P35462 13/20 0.43
HTR2A P28223 10/20 0.42
HTR1A P08908 3/20 0.42
DRD4 P21917 1/20 0.40

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
SCHEMBL3844142 0.84 DRD2 (0.47) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL3846646 0.83 DRD2 (0.50) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL3853883 0.82 DRD2 (0.45) DRD2DRD3HTR2ADRD4
SCHEMBL14346785 0.82 DRD2 (0.53) DRD2DRD3HTR2AHTR1A
SCHEMBL3843915 0.82 DRD2 (0.46) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL14346760 0.81 DRD2 (0.49) DRD2DRD3HTR2AHTR1A
SCHEMBL3853425 0.81 DRD2 (0.46) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL3845618 0.80 DRD2 (0.52) DRD2DRD3HTR2A
SCHEMBL3844514 0.80 DRD2 (0.52) DRD2DRD3HTR2AHTR1A
SCHEMBL14346788 0.80 DRD2 (0.51) DRD2DRD3HTR2AHTR1A

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-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

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 1/4885HTR2A 225/4885

“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.