SCHEMBL7044140

SCHEMBL7044140

OCc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.73
ADRB1 P08588 12/20 0.73
ADRB2 P07550 2/20 0.56
CYP2D6 P10635 2/20 0.56
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL6478911 0.91 ADRB3 (0.71) ADRB3ADRB1ADRB2CYP2D6MEN1
SCHEMBL6478914 0.91 ADRB3 (0.71) ADRB3ADRB1ADRB2CYP2D6MEN1
SCHEMBL7041021 0.91 ADRB3 (0.71) ADRB3ADRB1ADRB2CYP2D6MEN1
Hydrochloric Acid SCHEMBL7040329 0.90 ADRB3 (0.70) ADRB3ADRB1ADRB2CYP2D6MEN1
Hydrochloric Acid SCHEMBL7248953 0.90 ADRB3 (0.70) ADRB3ADRB1ADRB2CYP2D6MEN1
Hydrochloric Acid SCHEMBL7039782 0.90 ADRB3 (0.70) ADRB3ADRB1ADRB2CYP2D6MEN1
SCHEMBL7692859 0.89 ADRB3 (0.79) ADRB3ADRB1ADRB2CYP2D6MEN1
SCHEMBL6490006 0.88 ADRB3 (0.67) ADRB3ADRB1ADRB2CYP2D6MEN1
SCHEMBL6490011 0.88 ADRB3 (0.67) ADRB3ADRB1ADRB2CYP2D6MEN1
SCHEMBL7041978 0.88 ADRB3 (0.74) ADRB3ADRB1ADRB2CYP2D6MEN1

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-20030073846-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-04-17 US disclosed
EP-1292564-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-19 EP disclosed
WO-2001062705-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-30 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-20030073846-A1 Aminoalcohol derivatives XDH, ADH1A, ADRB1 ADRB3 20/4885ADRB1 3/4885ADRB2 4/4885

“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.