SCHEMBL5224546

SCHEMBL5224546

CCCN(C1CCN(C(=O)N2CCOCC2)CC1)C1CCc2ccc(OS(=O)(=O)c3ccccc3Br)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.38
DRD3 P35462 10/20 0.38
DRD4 P21917 4/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5217847 0.91 F2 (0.41) DRD2DRD3DRD4HRH3
SCHEMBL5218872 0.89 HRH3 (0.36) DRD2DRD3DRD4HRH3
SCHEMBL5217714 0.85 HRH3 (0.37) DRD2DRD3DRD4HRH3MEN1
SCHEMBL5217173 0.84 DRD2 (0.55) DRD2DRD3DRD4HRH3
SCHEMBL6796054 0.84 DRD2 (0.55) DRD2DRD3DRD4HRH3
SCHEMBL5222458 0.82 MAPT (0.37) DRD2DRD3DRD4HRH3
SCHEMBL5219946 0.79 DRD2 (0.55) DRD2DRD3DRD4MEN1ALDH1A1
SCHEMBL14341127 0.78 DRD3 (0.41) DRD2DRD3DRD4HRH3MEN1
SCHEMBL5216026 0.76 ALDH1A1 (0.44) DRD2DRD3DRD4MEN1ALDH1A1
SCHEMBL5217360 0.75 DRD2 (0.57) DRD2DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453806-B1 AMINOTETRALIN DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONIST HOFFMANN LA ROCHE (CH) 2007-12-19 EP disclosed
US-6806278-B2 SUCH AS (4-((6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPYL-AMINO) -PIPERIDIN-1-YL)(4-METHYL-PIPERAZIN-1-YL)-METHANONE; SMOOTH MUSCLE AND RESPIRATORY DISORDERS SYNTEX (U.S.A.) LLC 2004-10-19 US disclosed
EP-1453806-A1 AMINOTETRALIN DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONIST F. HOFFMANN-LA ROCHE AG (CH) 2004-09-08 EP disclosed
US-20040092604-A1 Amino-tetralin derivatives as muscarinic receptor antagonists MADERA ANN MARIE (US) 2004-05-13 US disclosed
US-6635658-B2 Amino tetralin piperidiene derivatives; smooth muscle disorders comprising diseases of genitourinary or gastro-intestinal tract SYNTEX (U.S.A.) LLC 2003-10-21 US disclosed
US-20030171362-A1 AMINO-TETRALIN DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS SYNTEX (USA) LLC 2003-09-11 US disclosed
WO-2003048125-A1 AMINOTETRALIN DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-12 WO 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 (2 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-20030171362-A1 AMINO-TETRALIN DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 DRD2 126/4885DRD3 133/4885DRD4 197/4885
US-20040092604-A1 Amino-tetralin derivatives as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 DRD2 126/4885DRD3 133/4885DRD4 197/4885

“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.