SCHEMBL5677263

SCHEMBL5677263

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.59
DRD2 P14416 2/20 0.58
DRD3 P35462 2/20 0.58
HSD17B10 Q99714 2/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
OPRK1 P41145 1/20 0.44
MAPT P10636 2/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
HIF1A Q16665 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 2/20 0.43
PLAU P00749 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 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
Hydrochloric Acid SCHEMBL5679485 0.99 ACHE (0.57) ACHEDRD2DRD3HSD17B10ALOX15
SCHEMBL5722321 0.89 HSD17B10 (0.62) ACHEDRD2DRD3HSD17B10ALOX15
SCHEMBL5722323 0.89 HSD17B10 (0.62) ACHEDRD2DRD3HSD17B10ALOX15
SCHEMBL4637023 0.88 CA1 (0.47) ACHEDRD2DRD3HSD17B10ALOX15
Hydrochloric Acid SCHEMBL7545790 0.88 HSD17B10 (0.61) ACHEDRD2DRD3HSD17B10ALOX15
Hydrochloric Acid SCHEMBL7545794 0.88 HSD17B10 (0.61) ACHEDRD2DRD3HSD17B10ALOX15
SCHEMBL10357226 0.83 HSD17B10 (0.62) ACHEDRD2DRD3HSD17B10ALOX15
SCHEMBL9518883 0.83 ACHE (0.58) ACHEDRD2DRD3HSD17B10ALOX15
SCHEMBL5679478 0.83 ACHE (0.58) ACHEDRD2DRD3HSD17B10ALOX15
SCHEMBL5681817 0.83 ACHE (0.58) ACHEDRD2DRD3HSD17B10ALOX15

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.