SCHEMBL4485563

SCHEMBL4485563

COCCNC(=O)C=C1CCC(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.54
DRD3 P35462 6/20 0.49
DRD2 P14416 4/20 0.49
HTR2A P28223 3/20 0.49
LMNA P02545 2/20 0.47
HTR1A P08908 2/20 0.47
HTR2C P28335 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ADRA1A P35348 1/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47
POLB P06746 2/20 0.46
CHRM4 P08173 1/20 0.46
HTR4 Q13639 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4C Q9H3R0 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL4479824 0.85 NPSR1 (0.59) NPSR1DRD3DRD2HTR2ALMNA
SCHEMBL13630155 0.85 NPSR1 (0.59) NPSR1DRD3DRD2HTR2ALMNA
SCHEMBL13630154 0.85 NPSR1 (0.59) NPSR1DRD3DRD2HTR2ALMNA
SCHEMBL3865455 0.84 DRD2 (0.55) DRD3DRD2HTR2ALMNAHTR1A
SCHEMBL3863133 0.84 ALDH1A1 (0.52) DRD3DRD2HTR2ALMNAHTR1A
SCHEMBL3866840 0.83 DRD2 (0.56) NPSR1DRD3DRD2HTR2ALMNA
SCHEMBL4493085 0.82 DRD2 (0.49) DRD3DRD2HTR2ALMNAHTR1A
SCHEMBL4484259 0.82 DRD2 (0.52) DRD3DRD2HTR2ALMNAHTR1A
SCHEMBL17226569 0.81 NPSR1 (0.58) NPSR1DRD3DRD2HTR2ALMNA
SCHEMBL3845181 0.80 DRD2 (0.52) DRD3DRD2HTR2ALMNAHTR1A

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 10 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 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
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
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
WO-2007148208-A2 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-27 WO 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 NPSR1 45/4885DRD3 1/4885DRD2 4/4885

“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.