SCHEMBL3846015

SCHEMBL3846015

CC(=O)CCN1CCC(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.57
DRD3 P35462 1/20 0.57
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 2/20 0.55
POLB P06746 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
KDM4C Q9H3R0 1/20 0.55
HTR2A P28223 3/20 0.55
HTR7 P34969 3/20 0.54
HTR1A P08908 2/20 0.54
HTR6 P50406 2/20 0.54
CHRM4 P08173 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 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
SCHEMBL3844108 0.94 HTR2A (0.58) DRD2DRD3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3843977 0.92 POLB (0.60) DRD2DRD3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3866800 0.88 DRD2 (0.61) DRD2DRD3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3846851 0.86 DRD2 (0.56) DRD2DRD3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3853474 0.86 DRD2 (0.56) DRD2DRD3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3853473 0.85 ALDH1A1 (0.56) DRD2DRD3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL13630038 0.85 DRD2 (0.61) DRD2DRD3ALDH1A1KDM4EPOLB
SCHEMBL3845743 0.85 ALDH1A1 (0.58) DRD2DRD3ALDH1A1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL3844588 0.85 MAPT (0.61) DRD2DRD3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4490509 0.84 POLB (0.52) DRD2DRD3ALDH1A1SMN1; SMN2KDM4E

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 11 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-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
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 DRD2 4/4885DRD3 1/4885ALDH1A1 243/4885

“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.