SCHEMBL13630261

SCHEMBL13630261

COc1ccc(Cl)cc1N1CCN(CC[C@H]2CC[C@H](NC(=O)CCCC#N)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 12/20 0.56
DRD2 P14416 11/20 0.56
DRD4 P21917 7/20 0.56
HTR1A P08908 6/20 0.56
HTR2B P41595 6/20 0.56
HTR2A P28223 8/20 0.55
HTR2C P28335 4/20 0.55
DRD1 P21728 3/20 0.55
CACNA1G O43497 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
SCHEMBL4490269 1.00 DRD3 (0.56) DRD3DRD2DRD4HTR1AHTR2B
SCHEMBL13630349 0.91 DRD2 (0.57) DRD3DRD2DRD4HTR1AHTR2B
SCHEMBL4493260 0.91 DRD2 (0.57) DRD3DRD2DRD4HTR1AHTR2B
SCHEMBL13630022 0.90 DRD3 (0.57) DRD3DRD2DRD4HTR1AHTR2B
SCHEMBL4492199 0.90 DRD3 (0.57) DRD3DRD2DRD4HTR1AHTR2B
SCHEMBL4481120 0.89 DRD3 (0.54) DRD3DRD2DRD4HTR1AHTR2B
SCHEMBL13630108 0.89 DRD3 (0.54) DRD3DRD2DRD4HTR1AHTR2B
SCHEMBL13630215 0.89 DRD3 (0.55) DRD3DRD2DRD4HTR1AHTR2B
SCHEMBL4490471 0.89 DRD3 (0.55) DRD3DRD2DRD4HTR1AHTR2B
SCHEMBL4502219 0.89 DRD2 (0.57) DRD3DRD2DRD4HTR1AHTR2B

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 DRD3 1/4885DRD2 4/4885DRD4 8/4885

“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.