SCHEMBL6843823

SCHEMBL6843823

CN[C@H]1CCc2c(ccc(O)c2O)C1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.51
DRD4 P21917 2/20 0.51
DRD3 P35462 2/20 0.51
DRD1 P21728 2/20 0.51
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
ACHE P22303 2/20 0.45
ADRB2 P07550 2/20 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
SCHEMBL3829971 1.00 DRD2 (0.51) DRD2DRD4DRD3DRD1ADRA1D
Hydrochloric Acid SCHEMBL6547743 0.98 DRD2 (0.50) DRD2DRD4DRD3DRD1ADRA1D
Bromide SCHEMBL7037393 0.98 DRD2 (0.50) DRD2DRD4DRD3DRD1ADRA1D
SCHEMBL2956868 0.84 ADRA1D (0.49) DRD2DRD4DRD3DRD1ADRA1D
SCHEMBL11520474 0.83 DRD2 (0.57) DRD2DRD4DRD3DRD1ADRA1D
Bromide SCHEMBL6008428 0.81 DRD2 (0.50) DRD2DRD4DRD3DRD1ADRA1D
SCHEMBL7424155 0.80 DRD2 (0.71) DRD2DRD4DRD3DRD1ADRA1D
SCHEMBL7424159 0.80 DRD2 (0.71) DRD2DRD4DRD3DRD1ADRA1D
SCHEMBL14360233 0.80 DRD2 (0.67) DRD2DRD4DRD3DRD1CA1
Bromide SCHEMBL7336392 0.79 DRD2 (0.69) DRD2DRD4DRD3DRD1ADRA1D

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040102652-A1 Optically active2-aminotetralin derivatives, the processes for the preparation thereof and the therapeutical use of pharmaceutical compositions containing them CHIESI FARMACEUTICI S.P.A. (IT) 2004-05-27 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-20040102652-A1 Optically active2-aminotetralin derivatives, the processes for the preparation thereof and the therapeutical use of pharmaceutical compositions containing them AADAT, AASDHPPT, AAAS DRD2 594/4885DRD4 857/4885DRD3 1242/4885

“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.