SCHEMBL3848690

SCHEMBL3848690

O=C(O)c1cccc(N2CCN(CCC3CCC4(CC3)OCCO4)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.50
DRD2 P14416 9/20 0.48
DRD3 P35462 8/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TTR P02766 1/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.41
TSHR P16473 1/20 0.41
HRH1 P35367 1/20 0.41
CCR3 P51677 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL3845098 0.92 DRD2 (0.48) DRD2DRD3HTR7KCNH2
SCHEMBL3846643 0.89 DRD2 (0.46) DRD2DRD3HTR7
SCHEMBL3844657 0.88 DRD2 (0.45) DRD2DRD3HTR2AHTR7
SCHEMBL3843639 0.86 SMN1; SMN2 (0.48) DRD2DRD3ALDH1A1HTR7TSHR
SCHEMBL4499151 0.85 DRD2 (0.43) DRD2DRD3HTR7
SCHEMBL3844088 0.84 ADRA2C (0.45) DRD2DRD3ALDH1A1HTR2AHTR7
SCHEMBL3846469 0.83 HTR7 (0.45) DRD2DRD3HTR7
SCHEMBL3849898 0.81 DRD2 (0.58) DRD2DRD3ALDH1A1HTR2AHTR7
SCHEMBL3845753 0.80 MEN1 (0.48) DRD2DRD3ALDH1A1KDM4EMEN1
SCHEMBL3845294 0.80 DRD2 (0.43) DRD2DRD3HTR7

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 9 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 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
EP-2038268-A2 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-03-25 EP disclosed
WO-2007148208-A2 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-27 WO disclosed
WO-2007148208-A2 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-27 WO 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 KMO 2082/4885DRD2 4/4885DRD3 1/4885

“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.