SCHEMBL13629900

SCHEMBL13629900

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

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.67
DRD3 P35462 10/20 0.67
HTR2A P28223 4/20 0.61
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL4486488 1.00 DRD2 (0.67) DRD2DRD3HTR2AKDM4EALDH1A1
SCHEMBL4496109 0.93 DRD2 (0.65) DRD2DRD3HTR2AKDM4EALDH1A1
SCHEMBL13629882 0.93 DRD2 (0.65) DRD2DRD3HTR2AKDM4EALDH1A1
SCHEMBL13630125 0.91 DRD2 (0.66) DRD2DRD3HTR2AKDM4EALDH1A1
SCHEMBL4483665 0.91 DRD2 (0.66) DRD2DRD3HTR2AKDM4EALDH1A1
SCHEMBL13637955 0.90 DRD2 (0.72) DRD2DRD3KDM4EALDH1A1LMNA
SCHEMBL4502953 0.89 DRD2 (0.63) DRD2DRD3HTR2AKDM4EALDH1A1
SCHEMBL14346819 0.89 DRD3 (0.61) DRD2DRD3HTR2A
SCHEMBL13630254 0.89 DRD3 (0.61) DRD2DRD3HTR2A
SCHEMBL4482269 0.89 DRD3 (0.61) 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.