SCHEMBL5221080

SCHEMBL5221080

Brc1ccc2c(c1)CC(NCCCC1CCNCC1)CC2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.43
DRD2 P14416 4/20 0.43
DRD4 P21917 1/20 0.43
GRIN2B Q13224 6/20 0.41
SIGMAR1 Q99720 2/20 0.41
HTR1D P28221 2/20 0.39
HTR1B P28222 1/20 0.38
PNMT P11086 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
KCNH2 Q12809 1/20 0.36
GRIN1 Q05586 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL5216586 0.83 DRD2 (0.65) DRD3DRD2DRD4GRIN2BHTR1D
SCHEMBL5216881 0.83 DRD2 (0.65) DRD3DRD2DRD4GRIN2BHTR1D
SCHEMBL6336717 0.77 DRD2 (0.70) DRD3DRD2DRD4GRIN2BHTR1D
SCHEMBL2086569 0.75 HTR1D (0.59) DRD3DRD2DRD4GRIN2BSIGMAR1
SCHEMBL13005912 0.70 GRIN2B (0.47) DRD3DRD2DRD4GRIN2B
SCHEMBL6336718 0.67 PNMT (0.37) DRD3DRD2PNMTCYP2C8CYP2D6
SCHEMBL5221082 0.65 PNMT (0.38) PNMTCYP2C8CYP2D6CYP2C9KCNH2
SCHEMBL7450053 0.65 HDAC8 (0.52) DRD3DRD2DRD4HDAC8CYP2C8
SCHEMBL7450046 0.65 HDAC8 (0.52) DRD3DRD2DRD4HDAC8CYP2C8
SCHEMBL1724881 0.64 GRIN2B (0.71) DRD3DRD2GRIN2BSIGMAR1HTR1D

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 DRD3 133/4885DRD2 126/4885DRD4 197/4885
US-20040092604-A1 Amino-tetralin derivatives as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 DRD3 133/4885DRD2 126/4885DRD4 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.