SCHEMBL13630279

SCHEMBL13630279

N#CCCCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cc(C#N)cc(C(F)(F)F)c3)CC2)CC1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.79
DRD3 P35462 8/20 0.79
HTR1A P08908 1/20 0.43
DRD4 P21917 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
ENPP2 Q13822 1/20 0.43

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
SCHEMBL4495986 1.00 DRD2 (0.79) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL13630030 0.94 DRD3 (0.69) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL4483657 0.94 DRD3 (0.69) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL13630399 0.91 DRD3 (0.65) DRD2DRD3HTR2A
SCHEMBL13630513 0.91 DRD3 (0.65) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL4487225 0.91 DRD3 (0.65) DRD2DRD3HTR2A
SCHEMBL4489334 0.91 DRD3 (0.65) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL4493642 0.90 DRD2 (0.85) DRD2DRD3HTR2A
SCHEMBL13629986 0.90 DRD2 (0.85) DRD2DRD3HTR2A
SCHEMBL13630058 0.89 DRD3 (0.71) DRD2DRD3HTR1ADRD4HTR2A

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 1/4885HTR1A 192/4885

“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.