SCHEMBL5679385

SCHEMBL5679385

CC(C)(C)OC(=O)N[C@H]1CCc2ccc(OCC(=O)N3CCCCC3)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ACHE P22303 1/20 0.44
NPC1 O15118 3/20 0.44
HPGD P15428 3/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
DRD2 P14416 2/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL5681677 0.85 MTNR1A (0.53) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL7035289 0.85 MTNR1A (0.53) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL5679130 0.84 MTNR1A (0.52) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL9443665 0.81 ADRB3 (0.51) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL9443701 0.81 ADRB3 (0.51) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL9443694 0.81 ADRB3 (0.51) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL5681735 0.80 ACHE (0.48) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL5681650 0.78 RAB9A (0.54) RAB9ALMNAHTTMAPTMEN1
SCHEMBL5677405 0.78 RAB9A (0.54) RAB9ALMNAHTTMAPTMEN1
SCHEMBL5677381 0.78 HDAC8 (0.50) MTNR1AMTNR1BCA1CA2ACHE

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 RAB9A 2848/4885MTNR1A 627/4885MTNR1B 286/4885

“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.