SCHEMBL4487038

SCHEMBL4487038

Cc1ccc(N2CCN(CCC3CCC(C(N)=O)CC3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.57
DRD3 P35462 6/20 0.57
HTR7 P34969 2/20 0.46
DRD4 P21917 1/20 0.46
TSHR P16473 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL3845415 0.88 DRD2 (0.56) DRD2DRD3HTR7DRD4
SCHEMBL3851239 0.88 DRD2 (0.64) DRD2DRD3DRD4
SCHEMBL3849066 0.87 DRD2 (0.65) DRD2DRD3HTR7
SCHEMBL3847014 0.87 DRD2 (0.59) DRD2DRD3HTR7DRD4
SCHEMBL3844060 0.87 DRD2 (0.66) DRD2DRD3DRD4
SCHEMBL4501250 0.86 DRD2 (0.61) DRD2DRD3
SCHEMBL3844447 0.85 DRD2 (0.56) DRD2DRD3MAPT
SCHEMBL3844707 0.84 DRD2 (0.55) DRD2DRD3DRD4
SCHEMBL4487040 0.83 DRD2 (0.54) DRD2DRD3HTR7DRD4MAPT
SCHEMBL3848125 0.82 DRD2 (0.51) DRD2DRD3HTR7

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 4 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
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

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 1/4885HTR7 233/4885

“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.