SCHEMBL13630010

SCHEMBL13630010

COc1cccc(N2CCN(CC[C@H]3CC[C@H](NC(=O)CC#N)CC3)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.67
DRD3 P35462 13/20 0.67
HTR2A P28223 7/20 0.59
HTR1A P08908 3/20 0.52
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
DRD4 P21917 1/20 0.51
HTR2B P41595 1/20 0.51

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
SCHEMBL4489245 1.00 DRD2 (0.67) DRD2DRD3HTR2AHTR1AMTNR1A
SCHEMBL4489934 0.92 DRD3 (0.57) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL13630026 0.92 DRD3 (0.57) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL13630265 0.91 DRD2 (0.65) DRD2DRD3HTR2AHTR1AMTNR1A
SCHEMBL13630009 0.91 DRD2 (0.58) DRD2DRD3HTR2A
SCHEMBL4492292 0.91 DRD2 (0.65) DRD2DRD3HTR2AHTR1AMTNR1A
SCHEMBL4494600 0.91 DRD2 (0.58) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL13630017 0.91 DRD2 (0.58) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL4491343 0.91 DRD2 (0.58) DRD2DRD3HTR2A
SCHEMBL13630466 0.90 DRD2 (0.64) DRD2DRD3HTR2AHTR1ADRD4

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 1/4885HTR2A 225/4885

“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.