SCHEMBL4493623

SCHEMBL4493623

CC(=O)CN1CCC(CCN2CC=C(c3ccc(Cl)cc3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.55
PPARG P37231 3/20 0.49
PPARA Q07869 3/20 0.49
DRD2 P14416 1/20 0.48
HTR1A P08908 2/20 0.47

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
SCHEMBL3848083 0.89 SIGMAR1 (0.55) SIGMAR1PPARGPPARADRD2HTR1A
SCHEMBL4485693 0.89 DRD2 (0.54) SIGMAR1DRD2HTR1A
SCHEMBL14347034 0.82 DRD2 (0.45) SIGMAR1PPARGPPARADRD2HTR1A
SCHEMBL3848146 0.82 PPARG (0.47) SIGMAR1PPARGPPARADRD2HTR1A
SCHEMBL3845116 0.81 HTR7 (0.51) SIGMAR1PPARGPPARADRD2HTR1A
SCHEMBL3847417 0.81 DRD2 (0.41) SIGMAR1DRD2HTR1A
SCHEMBL3853893 0.80 DRD2 (0.43) SIGMAR1DRD2
SCHEMBL3854356 0.80 DRD2 (0.41) SIGMAR1PPARGPPARADRD2HTR1A
SCHEMBL9531074 0.80 SIGMAR1 (0.74) SIGMAR1PPARGPPARADRD2HTR1A
Hydrochloric Acid SCHEMBL27773644 0.79 DRD2 (0.42) SIGMAR1DRD2

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 6 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
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

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 SIGMAR1 71/4885PPARG 937/4885PPARA 1476/4885

“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.