SCHEMBL4503207

SCHEMBL4503207

N#CCCC(=O)NC1CCC(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 0.62
DRD2 P14416 8/20 0.62
HTR2A P28223 3/20 0.51
HTR1A P08908 1/20 0.51
DRD4 P21917 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL13630014 1.00 DRD3 (0.62) DRD3DRD2HTR2AHTR1ADRD4
Hydrochloric Acid SCHEMBL5268764 0.99 DRD3 (0.61) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL4503624 0.95 DRD2 (0.60) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL13630008 0.95 DRD2 (0.60) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL13630575 0.94 DRD2 (0.59) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL4489343 0.91 DRD2 (0.64) DRD3DRD2HTR2AKDM4EALDH1A1
SCHEMBL13629868 0.91 DRD2 (0.64) DRD3DRD2HTR2AKDM4EALDH1A1
SCHEMBL13630058 0.91 DRD3 (0.71) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL13630125 0.91 DRD2 (0.66) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL4486122 0.91 DRD3 (0.71) DRD3DRD2HTR2AHTR1ADRD4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038268-B1 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2015-11-04 EP claimed
US-8802678-B2 Carbonylated (aza) cyclohexanes as dopamine D3 receptor ligands BIOPROJET (FR) 2014-08-12 US claimed
US-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-11-19 US claimed
EP-1870405-A1 Carbonylated (Aza)cyclohexanes as dopamine D3 receptor ligands BIOPROJET (FR) 2007-12-26 EP claimed
EP-2038268-B1 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2015-11-04 EP disclosed
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
EP-1870405-A1 Carbonylated (Aza)cyclohexanes as dopamine D3 receptor ligands BIOPROJET (FR) 2007-12-26 EP 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 DRD3 1/4885DRD2 4/4885HTR2A 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.