SCHEMBL4485693

SCHEMBL4485693

CC(=O)CN1CCC(CCN2CC=C(c3ccccc3)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.54
DRD3 P35462 2/20 0.54
SIGMAR1 Q99720 3/20 0.53
KDM4E B2RXH2 5/20 0.49
HTR1A P08908 2/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 1/20 0.47
DRD4 P21917 1/20 0.46
LMNA P02545 2/20 0.45
KCNA3 P22001 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
SCHEMBL4493623 0.89 SIGMAR1 (0.55) DRD2SIGMAR1HTR1A
SCHEMBL3848083 0.89 SIGMAR1 (0.55) DRD2DRD3SIGMAR1HTR1A
SCHEMBL14347034 0.88 DRD2 (0.45) DRD2DRD3SIGMAR1KDM4EHTR1A
SCHEMBL3847417 0.87 DRD2 (0.41) DRD2DRD3SIGMAR1KDM4EHTR1A
SCHEMBL3845116 0.87 HTR7 (0.51) DRD2DRD3SIGMAR1HTR1AMAPT
SCHEMBL3853893 0.86 DRD2 (0.43) DRD2DRD3SIGMAR1KCNA3
SCHEMBL3854356 0.86 DRD2 (0.41) DRD2DRD3SIGMAR1KDM4EHTR1A
Hydrochloric Acid SCHEMBL27773644 0.85 DRD2 (0.42) DRD2DRD3SIGMAR1KCNA3
SCHEMBL3854331 0.83 DRD2 (0.40) DRD2DRD3HTR1ADRD4LMNA
SCHEMBL3848146 0.82 PPARG (0.47) DRD2DRD3SIGMAR1KDM4EHTR1A

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 8 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-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
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 1/4885SIGMAR1 71/4885

“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.