SCHEMBL13629877

SCHEMBL13629877

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

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.64
DRD3 P35462 9/20 0.64
HTR2A P28223 3/20 0.58
HTR1A P08908 1/20 0.55

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
SCHEMBL3845261 1.00 DRD2 (0.64) DRD2DRD3HTR2AHTR1A
SCHEMBL5269048 0.95 DRD2 (0.59) DRD2DRD3HTR2AHTR1A
SCHEMBL4082968 0.92 DRD2 (0.64) DRD2DRD3
SCHEMBL4082970 0.92 DRD2 (0.64) DRD2DRD3
SCHEMBL14346768 0.90 DRD2 (0.61) DRD2DRD3HTR2AHTR1A
SCHEMBL4492668 0.90 DRD2 (0.61) DRD2DRD3HTR2AHTR1A
SCHEMBL13629879 0.90 DRD2 (0.61) DRD2DRD3HTR2AHTR1A
SCHEMBL13629915 0.89 DRD2 (0.60) DRD2DRD3HTR2A
Hydrochloric Acid SCHEMBL5274454 0.89 DRD2 (0.60) DRD2DRD3HTR2AHTR1A
SCHEMBL4486979 0.89 DRD2 (0.60) 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 1/4885HTR2A 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.