SCHEMBL5216026

SCHEMBL5216026

CCCN(C1CCN(C(=O)N2CCOCC2)CC1)C1CCc2cc(OC)c(OC)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
AKR1C3 P42330 1/20 0.40
FYN P06241 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD2 P14416 6/20 0.38
DRD3 P35462 5/20 0.38
DRD4 P21917 3/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL5218854 0.90 ALDH1A1 (0.46) ALDH1A1CYP2D6CYP2C9ALOX15MAPK1
SCHEMBL5217916 0.88 ALDH1A1 (0.44) ALDH1A1CYP2D6CYP2C9ALOX15MAPK1
SCHEMBL6803033 0.88 ALDH1A1 (0.44) ALDH1A1CYP2D6CYP2C9ALOX15MAPK1
SCHEMBL6796054 0.88 DRD2 (0.55) AKR1C3DRD2DRD3DRD4
SCHEMBL5217173 0.88 DRD2 (0.55) AKR1C3DRD2DRD3DRD4
SCHEMBL6340997 0.86 ALDH1A1 (0.47) ALDH1A1CYP2D6CYP2C9ALOX15MAPK1
SCHEMBL6337152 0.86 ALDH1A1 (0.47) ALDH1A1CYP2D6CYP2C9ALOX15MAPK1
SCHEMBL5219946 0.84 DRD2 (0.55) ALDH1A1CYP2D6CYP2C9MEN1KMT2A
SCHEMBL5220476 0.84 ALDH1A1 (0.46) ALDH1A1CYP2D6CYP2C9ALOX15MAPK1
SCHEMBL14341127 0.83 DRD3 (0.41) ALDH1A1CYP2D6CYP2C9MEN1KMT2A

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 ALDH1A1 2444/4885CYP2D6 513/4885CYP2C9 890/4885
US-20040092604-A1 Amino-tetralin derivatives as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 ALDH1A1 2444/4885CYP2D6 513/4885CYP2C9 890/4885

“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.