SCHEMBL5679306

SCHEMBL5679306

CCN(CC)C(=O)COc1ccc2c(c1)C[C@@H](N)CC2

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.63
DRD2 P14416 2/20 0.54
DRD3 P35462 2/20 0.54
TRPM8 Q7Z2W7 3/20 0.51
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5681876 0.88 ACHE (0.60) ACHEDRD2DRD3TRPM8TSHR
Acetic Acid SCHEMBL7586109 0.85 ACHE (0.63) ACHEDRD2DRD3KDM4EALDH1A1
Acetic Acid SCHEMBL7586095 0.85 ACHE (0.63) ACHEDRD2DRD3KDM4EALDH1A1
SCHEMBL5681817 0.84 ACHE (0.58) ACHEDRD2DRD3KDM4EALDH1A1
SCHEMBL9518883 0.84 ACHE (0.58) ACHEDRD2DRD3KDM4EALDH1A1
SCHEMBL5679478 0.84 ACHE (0.58) ACHEDRD2DRD3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9443687 0.83 ACHE (0.57) ACHEDRD2DRD3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8765234 0.83 ACHE (0.57) ACHEDRD2DRD3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8765229 0.83 ACHE (0.57) ACHEDRD2DRD3KDM4EALDH1A1
SCHEMBL5681868 0.83 ACHE (0.59) ACHEDRD2DRD3NPC1RAB9A

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
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
EP-1292572-A1 PROPANOLAMINOTETRALINES, PREPARATION THEREOF AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2003-03-19 EP disclosed
WO-2001094307-A1 PROPANOLAMINOTETRALINES, PREPARATION THEREOF AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2001-12-13 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 (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 ACHE 79/4885DRD2 386/4885DRD3 165/4885

“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.