SCHEMBL5677446

SCHEMBL5677446

O=C(N[C@H]1CCc2ccc(O)cc2C1)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.63
CA2 P00918 5/20 0.63
ACHE P22303 5/20 0.63
HDAC8 Q9BY41 1/20 0.58
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
TSHR P16473 1/20 0.53
TLR4 O00206 1/20 0.53
GRIN2B Q13224 2/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSK P43235 1/20 0.51
EPHX1 P07099 1/20 0.50
SLC6A5 Q9Y345 1/20 0.49
DRD3 P35462 2/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49

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
SCHEMBL7591612 1.00 CA1 (0.63) CA1CA2ACHEHDAC8ALDH1A1
SCHEMBL9490334 0.89 CA1 (0.73) CA1CA2ACHEHDAC8ALDH1A1
SCHEMBL6135270 0.86 CA1 (0.59) CA1CA2ACHEHDAC8ALDH1A1
SCHEMBL5681755 0.84 CA1 (0.56) CA1CA2ACHEHDAC8ALDH1A1
SCHEMBL23938186 0.84 CA1 (0.61) CA1CA2ACHEHDAC8ALDH1A1
SCHEMBL30968514 0.84 CA1 (0.61) CA1CA2ACHEHDAC8ALDH1A1
SCHEMBL30061424 0.84 CA1 (0.61) CA1CA2ACHEHDAC8ALDH1A1
SCHEMBL17549529 0.84 CA1 (0.61) CA1CA2ACHEHDAC8ALDH1A1
SCHEMBL28576386 0.84 CA1 (0.61) CA1CA2ACHEHDAC8ALDH1A1
SCHEMBL30059982 0.84 CA1 (0.61) CA1CA2ACHEHDAC8ALDH1A1

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
US-7030160-B2 Propanolaminotetralines, preparation thereof and compositions containing same SANOFI-AVENTIS (FR) 2006-04-18 US disclosed
US-20040034070-A1 Propanolaminotetralines, preparation thereof and compositions containing same SANOFI-AVENTIS (FR) 2004-02-19 US disclosed
CN-1100032-C 3,4-disubstituted phenylethanolaminotetra lincarboxamide derivatives KISSEI PHARMACEUTICAL (JP) 2003-01-29 CN disclosed
EP-0882704-B1 3,4-DISUBSTITUTED PHENYLETHANOLAMINOTETRALINCARBOXAMIDE DERIVATIVES KISSEI PHARMACEUTICAL (JP) 2002-10-09 EP disclosed
US-6133266-A 3,4-disubstituted phenylethanolaminotetralincarboxamide derivatives KISSEI PHARMACEUTICAL CO., LTD. (JP) 2000-10-17 US disclosed
CN-1216526-A 3,4-disubstituted phenylethanolaminotetra lincarboxamide derivatives KISSEI PHARMACEUTICAL (JP) 1999-05-12 CN disclosed
EP-0882704-A1 3,4-DISUBSTITUTED PHENYLETHANOLAMINOTETRALINCARBOXAMIDE DERIVATIVES KISSEI PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP 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 (1 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-20040034070-A1 Propanolaminotetralines, preparation thereof and compositions containing same ADRB3, ADRB1, ADRB2 CA1 4712/4885CA2 3342/4885ACHE 79/4885

“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.