SCHEMBL13629986

SCHEMBL13629986

N#CCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cc(C#N)cc(C(F)(F)F)c3)CC2)CC1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.85
DRD3 P35462 9/20 0.85
HTR2A P28223 5/20 0.52

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
SCHEMBL4493642 1.00 DRD2 (0.85) DRD2DRD3HTR2A
SCHEMBL13629947 0.93 DRD3 (0.73) DRD2DRD3HTR2A
SCHEMBL4482964 0.93 DRD3 (0.73) DRD2DRD3HTR2A
SCHEMBL4480329 0.90 DRD3 (0.69) DRD2DRD3HTR2A
SCHEMBL13630398 0.90 DRD3 (0.69) DRD2DRD3HTR2A
SCHEMBL4480402 0.90 DRD3 (0.69) DRD2DRD3HTR2A
SCHEMBL13630511 0.90 DRD3 (0.69) DRD2DRD3HTR2A
SCHEMBL6680587 0.90 DRD2 (0.84) DRD2DRD3
SCHEMBL6680591 0.90 DRD2 (0.84) DRD2DRD3
SCHEMBL4495986 0.90 DRD2 (0.79) 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.