SCHEMBL13630239

SCHEMBL13630239

N#CCCCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3C#N)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.60
DRD3 P35462 14/20 0.60
HTR2A P28223 4/20 0.60
HTR1A P08908 3/20 0.60
DRD4 P21917 3/20 0.60
HTR2C P28335 3/20 0.60
DRD1 P21728 2/20 0.60
HTR2B P41595 2/20 0.60
ADRA2A P08913 2/20 0.54
HTR7 P34969 2/20 0.54
ADRA1A P35348 2/20 0.54
HRH1 P35367 2/20 0.54
ABCB11 O95342 1/20 0.54
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
DRD5 P21918 1/20 0.54
KCNH2 Q12809 1/20 0.54
CHRM4 P08173 1/20 0.54
ADRB1 P08588 1/20 0.54
CHRM5 P08912 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
SCHEMBL4491591 1.00 DRD2 (0.60) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL13630083 0.92 DRD2 (0.64) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL4484322 0.92 DRD2 (0.64) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL13630055 0.91 DRD2 (0.72) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL4476849 0.91 DRD2 (0.72) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL13630050 0.90 DRD2 (0.61) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL4490616 0.90 DRD2 (0.61) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL13630393 0.90 DRD2 (0.54) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL13630119 0.90 DRD2 (0.62) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL4476702 0.90 DRD2 (0.54) DRD2DRD3HTR2AHTR1ADRD4

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.