SCHEMBL3849926

SCHEMBL3849926

NC1CCC(CCN2CCN(c3ccccn3)CC2)CC1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.70
DRD3 P35462 6/20 0.70
DRD4 P21917 3/20 0.61
HTR1A P08908 4/20 0.58
HTR2A P28223 3/20 0.58
HTR2C P28335 2/20 0.58
HTR7 P34969 2/20 0.58
SLC6A4 P31645 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
POLB P06746 1/20 0.53

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
SCHEMBL8523324 1.00 DRD2 (0.70) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL9773160 1.00 DRD2 (0.70) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL9773116 0.86 DRD2 (0.56) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL9773119 0.86 DRD2 (0.56) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL3849923 0.84 DRD2 (0.66) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL8470779 0.83 DRD2 (0.65) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL8470799 0.83 DRD2 (1.00) DRD2DRD3DRD4
SCHEMBL8470803 0.83 DRD2 (1.00) DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL8472405 0.82 DRD2 (0.98) DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL8472401 0.82 DRD2 (0.98) DRD2DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802678-B2 Carbonylated (aza) cyclohexanes as dopamine D3 receptor ligands BIOPROJET (FR) 2014-08-12 US claimed
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-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
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
EP-1870405-A1 Carbonylated (Aza)cyclohexanes as dopamine D3 receptor ligands BIOPROJET (FR) 2007-12-26 EP disclosed
US-5977110-A Substituted cyclohexylamines as central nervous systems agents WARNER-LAMBERT COMPANY (US) 1999-11-02 US disclosed
WO-1997011070-A1 SUBSTITUTED CYCLOHEXYLAMINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1997-03-27 WO disclosed
US-5047406-A Substituted cyclohexanols as central nervous system agents WARNER-LAMBERT CO. (US) 1991-09-10 US disclosed
EP-0431580-A2 Substituted cyclohexanols as central nervous system agents WARNER-LAMBERT COMPANY (US) 1991-06-12 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 DRD2 4/4885DRD3 1/4885DRD4 8/4885

“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.