Sugi Predict

Sugi Predict / Compounds / SCHEMBL5222458

SCHEMBL5222458

SCHEMBL5222458

CCCN(C1CCN(C(=O)N2CCOCC2)CC1)C1CCc2ccc(OS(=O)(=O)c3c(C)noc3C)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ DRD2 P14416 3/20 0.37
▸ DRD3 P35462 3/20 0.37
▸ DRD4 P21917 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ GAA P10253 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MMP1 P03956 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP7 P09237 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ MMP13 P45452 1/20 0.33

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
SCHEMBL6788728 0.83 DRD2 (0.41) MAPTDRD2DRD3DRD4PKM
SCHEMBL5217173 0.82 DRD2 (0.55) HRH3DRD2DRD3DRD4MMP1
SCHEMBL6796054 0.82 DRD2 (0.55) HRH3DRD2DRD3DRD4MMP1
SCHEMBL5224546 0.82 DRD2 (0.38) HRH3DRD2DRD3DRD4
SCHEMBL5217847 0.82 F2 (0.41) HRH3DRD2DRD3DRD4
SCHEMBL6621191 0.82 POLB (0.35) MAPTDRD2DRD3DRD4PKM
SCHEMBL5217714 0.81 HRH3 (0.37) MAPTHRH3DRD2DRD3DRD4
SCHEMBL5218872 0.80 HRH3 (0.36) HRH3DRD2DRD3DRD4MMP1
SCHEMBL3387755 0.80 DRD2 (0.43) MAPTDRD2DRD3DRD4PKM
SCHEMBL5219946 0.78 DRD2 (0.55) MAPTDRD2DRD3DRD4TSHR

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 5 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
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

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 MAPT 1406/4885HRH3 38/4885DRD2 126/4885
US-20040092604-A1 Amino-tetralin derivatives as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 MAPT 1406/4885HRH3 38/4885DRD2 126/4885

“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.