SCHEMBL5704142

SCHEMBL5704142

CC(C)Cc1cc(C(=O)O)ccc1-c1ccc(CCNC[C@H](O)c2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.72
ADRB1 P08588 10/20 0.63
ADRB2 P07550 2/20 0.56

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
SCHEMBL5704144 1.00 ADRB3 (0.72) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL4584016 0.99 ADRB3 (0.71) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL4584021 0.99 ADRB3 (0.71) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL4583729 0.91 ADRB3 (0.75) ADRB3ADRB1
Hydrochloric Acid SCHEMBL4583723 0.91 ADRB3 (0.75) ADRB3ADRB1
SCHEMBL5704100 0.89 ADRB3 (0.64) ADRB3ADRB1ADRB2
SCHEMBL5704097 0.89 ADRB3 (0.64) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL4584454 0.88 ADRB3 (0.63) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL4584458 0.88 ADRB3 (0.63) ADRB3ADRB1ADRB2
SCHEMBL5704228 0.87 ADRB3 (0.62) ADRB3ADRB1ADRB2

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
EP-1697301-A2 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2006-09-06 EP claimed
WO-2005061433-A2 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-07-07 WO claimed
US-20050137236-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 US claimed

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-20050137236-A1 Aminoalcohol derivatives GPR39, PRMT9, CHRM2 ADRB3 86/4885ADRB1 70/4885ADRB2 58/4885

“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.