SCHEMBL5216586

SCHEMBL5216586

COc1ccc2c(c1)CC(NCCCC1CCNCC1)CC2

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.65
DRD3 P35462 8/20 0.65
GRIN2B Q13224 5/20 0.54
GRIN1 Q05586 2/20 0.54
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
HTR1D P28221 1/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
ACHE P22303 4/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
DRD4 P21917 3/20 0.44
CYP19A1 P11511 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
SCHEMBL5216881 1.00 DRD2 (0.65) DRD2DRD3GRIN2BGRIN1MTNR1A
SCHEMBL5221080 0.83 DRD3 (0.43) DRD2DRD3GRIN2BGRIN1HTR1D
SCHEMBL2702018 0.80 DRD2 (1.00) DRD2DRD3GRIN2BGRIN1MTNR1A
SCHEMBL2701521 0.80 DRD2 (1.00) DRD2DRD3GRIN2BGRIN1MTNR1A
SCHEMBL8394614 0.80 DRD2 (1.00) DRD2DRD3GRIN2BGRIN1MTNR1A
Hydrochloric Acid SCHEMBL6339640 0.78 DRD2 (0.97) DRD2DRD3GRIN2BGRIN1MTNR1A
Hydrochloric Acid SCHEMBL11494181 0.76 DRD2 (0.78) DRD2DRD3GRIN2BGRIN1MTNR1A
SCHEMBL607070 0.74 DRD2 (0.90) DRD2DRD3GRIN2BGRIN1MTNR1A
SCHEMBL10395544 0.74 DRD2 (0.71) DRD2DRD3GRIN2BGRIN1MTNR1A
SCHEMBL10765415 0.74 DRD2 (0.71) DRD2DRD3GRIN2BGRIN1MTNR1A

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 133/4885GRIN2B 518/4885
US-20040092604-A1 Amino-tetralin derivatives as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 DRD2 126/4885DRD3 133/4885GRIN2B 518/4885

“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.