SCHEMBL3844518

SCHEMBL3844518

Cc1ccccc1N1CCN(CCC2CC[CH]CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.54
DRD3 P35462 1/20 0.54
ADRA1B P35368 3/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
HTR7 P34969 3/20 0.51
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR1A P08908 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
SCHEMBL24689480 0.89 ADRA1B (0.58) DRD2DRD3ADRA1BADRA1DADRA1A
SCHEMBL24720737 0.87 ADRA1B (0.56) DRD2DRD3ADRA1BADRA1DADRA1A
SCHEMBL4502971 0.85 DRD2 (0.65) DRD2DRD3ADRA1BADRA1DADRA1A
SCHEMBL3863328 0.80 DRD2 (0.57) DRD2DRD3ADRA1BADRA1DADRA1A
SCHEMBL4502968 0.80 DRD2 (0.59) DRD2DRD3ADRA1BADRA1DADRA1A
SCHEMBL28475732 0.78 DRD2 (0.75) DRD2DRD3ADRA1BADRA1DADRA1A
SCHEMBL22302984 0.78 MEN1 (0.59) DRD2DRD3ADRA1BADRA1DADRA1A
SCHEMBL3850607 0.77 DRD2 (0.52) DRD2DRD3HTR7ALDH1A1
SCHEMBL3436476 0.77 ADRA1B (0.51) DRD2DRD3ADRA1BADRA1DADRA1A
SCHEMBL24719040 0.77 TSHR (0.61) DRD2DRD3ADRA1BADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038268-A2 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-03-25 EP claimed
WO-2007148208-A2 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-27 WO 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-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

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 1/4885ADRA1B 75/4885

“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.