SCHEMBL13630226

SCHEMBL13630226

COc1ccccc1N1CCN(CC[C@H]2CC[C@H](NC(=O)CCCC#N)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.64
HTR1A P08908 9/20 0.64
DRD3 P35462 8/20 0.64
DRD4 P21917 6/20 0.64
HTR2B P41595 4/20 0.64
HTR2A P28223 4/20 0.56
DRD1 P21728 2/20 0.56
HTR2C P28335 2/20 0.56
HTR7 P34969 5/20 0.53
CACNA1G O43497 1/20 0.52
PDE4B Q07343 2/20 0.52
PDE7A Q13946 1/20 0.52

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
SCHEMBL4489290 1.00 DRD2 (0.64) DRD2HTR1ADRD3DRD4HTR2B
SCHEMBL13630289 0.91 DRD2 (0.55) DRD2HTR1ADRD3DRD4HTR2B
SCHEMBL4503075 0.91 DRD2 (0.55) DRD2HTR1ADRD3DRD4HTR2B
SCHEMBL13629966 0.89 DRD2 (0.66) DRD2HTR1ADRD3DRD4HTR2B
SCHEMBL4492765 0.89 DRD2 (0.66) DRD2HTR1ADRD3DRD4HTR2B
SCHEMBL13630349 0.89 DRD2 (0.57) DRD2HTR1ADRD3DRD4HTR2B
SCHEMBL4493260 0.89 DRD2 (0.57) DRD2HTR1ADRD3DRD4HTR2B
SCHEMBL13630273 0.88 DRD2 (0.61) DRD2HTR1ADRD3DRD4HTR2B
SCHEMBL4486325 0.88 DRD2 (0.59) DRD2HTR1ADRD3DRD4HTR2B
SCHEMBL4475812 0.88 DRD2 (0.61) DRD2HTR1ADRD3DRD4HTR2B

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 4/4885HTR1A 192/4885DRD3 1/4885

“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.