SCHEMBL5679130

SCHEMBL5679130

CC(C)(C)OC(=O)N[C@H]1CCc2ccc(OCC(N)=O)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
ACHE P22303 5/20 0.49
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
ADRB3 P13945 2/20 0.43
ADRB1 P08588 1/20 0.43
DRD2 P14416 7/20 0.42
DRD3 P35462 3/20 0.41
EPHX2 P34913 1/20 0.41
HTR1D P28221 1/20 0.41
DRD4 P21917 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL4736598 0.91 EPHX2 (0.44) MTNR1AMTNR1BCA1CA2EPHX2
SCHEMBL7035289 0.90 MTNR1A (0.53) MTNR1AMTNR1BACHECA1CA2
SCHEMBL5681677 0.90 MTNR1A (0.53) MTNR1AMTNR1BACHECA1CA2
SCHEMBL9443694 0.86 ADRB3 (0.51) MTNR1AMTNR1BACHECA1CA2
SCHEMBL9443701 0.86 ADRB3 (0.51) MTNR1AMTNR1BACHECA1CA2
SCHEMBL9443665 0.86 ADRB3 (0.51) MTNR1AMTNR1BACHECA1CA2
SCHEMBL5681735 0.85 ACHE (0.48) MTNR1AMTNR1BACHECA1CA2
SCHEMBL5679385 0.84 RAB9A (0.48) MTNR1AMTNR1BACHECA1CA2
SCHEMBL5677381 0.83 HDAC8 (0.50) MTNR1AMTNR1BACHECA1CA2
SCHEMBL5722257 0.83 MTNR1A (0.50) MTNR1AMTNR1BACHECA1CA2

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 3 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
EP-1292572-B1 PROPANOLAMINOTETRALINES, PREPARATION THEREOF AND COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2004-02-18 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 MTNR1A 627/4885MTNR1B 286/4885ACHE 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.