SCHEMBL7044330

SCHEMBL7044330

CC(=O)c1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.71
ADRB1 P08588 11/20 0.71
ABCB1 P08183 2/20 0.54
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ADRB2 P07550 1/20 0.52
CYP2D6 P10635 1/20 0.52
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL7042706 0.91 ADRB1 (0.71) ADRB3ADRB1MAPTLMNAADRB2
SCHEMBL7039822 0.91 ADRB3 (0.74) ADRB3ADRB1MAPTADRB2CYP2D6
SCHEMBL7041956 0.88 ADRB3 (0.67) ADRB3ADRB1MAPTADRB2CYP2D6
SCHEMBL7041981 0.88 ADRB3 (0.70) ADRB3ADRB1LMNAADRB2CYP2D6
SCHEMBL6538997 0.87 ADRB3 (0.82) ADRB3ADRB1MAPTADRB2CYP2D6
SCHEMBL9685359 0.86 ADRB3 (0.64) ADRB3ADRB1ABCB1MAPTLMNA
SCHEMBL9685355 0.86 ADRB3 (0.64) ADRB3ADRB1ABCB1MAPTLMNA
SCHEMBL7041978 0.86 ADRB3 (0.74) ADRB3ADRB1LMNAADRB2CYP2D6
SCHEMBL7044140 0.86 ADRB3 (0.73) ADRB3ADRB1MAPTADRB2CYP2D6
SCHEMBL6478914 0.84 ADRB3 (0.71) ADRB3ADRB1MAPTADRB2CYP2D6

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 3/4885ABCB1 2117/4885

“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.