SCHEMBL13629909

SCHEMBL13629909

Cc1cccc(C2=CCN(CC[C@H]3CC[C@H](NC(=O)C4=CCCC4)CC3)CC2)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.42
DRD3 P35462 18/20 0.42
HTR1D P28221 3/20 0.41
CYP2D6 P10635 1/20 0.40
HTR1B P28222 1/20 0.40
HRH1 P35367 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL14346887 0.88 DRD2 (0.43) DRD2DRD3
SCHEMBL13629891 0.84 DRD2 (0.47) DRD2DRD3
SCHEMBL4495607 0.84 DRD2 (0.47) DRD2DRD3
SCHEMBL13630474 0.82 DRD2 (0.45) DRD2DRD3
SCHEMBL14346738 0.82 DRD2 (0.45) DRD2DRD3
SCHEMBL13630405 0.81 DRD2 (0.57) DRD2DRD3
SCHEMBL3852908 0.81 DRD2 (0.39) DRD2DRD3HTR1DHTR1B
SCHEMBL8462080 0.80 DRD2 (0.43) DRD2DRD3HTR1D
SCHEMBL3852910 0.79 DRD2 (0.42) DRD2DRD3HTR1DHTR1B
SCHEMBL13630460 0.78 DRD3 (0.40) DRD2DRD3HTR1DHTR1B

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 2 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 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 1/4885HTR1D 147/4885

“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.