SCHEMBL6133699

SCHEMBL6133699

COC(=O)c1cc(Oc2ccc3c(c2)C[C@@H](N(C[C@H](O)c2ccc(Cl)nc2)C(=O)OC(C)(C)C)CC3)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.52
ADRB1 P08588 6/20 0.47
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL6133702 1.00 ADRB3 (0.52) ADRB3ADRB1RAF1BRAFMCHR1
SCHEMBL6133682 0.94 ADRB3 (0.45) ADRB3ADRB1RAF1BRAFMCHR1
SCHEMBL6133687 0.94 ADRB3 (0.45) ADRB3ADRB1RAF1BRAFMCHR1
SCHEMBL6134225 0.93 ADRB3 (0.55) ADRB3ADRB1
SCHEMBL6134223 0.93 ADRB3 (0.55) ADRB3ADRB1
SCHEMBL6134558 0.90 ADRB3 (0.49) ADRB3ADRB1MCHR1
SCHEMBL6134556 0.90 ADRB3 (0.49) ADRB3ADRB1MCHR1
SCHEMBL6133762 0.88 ADRB3 (0.67) ADRB3ADRB1
SCHEMBL6133765 0.88 ADRB3 (0.67) ADRB3ADRB1
SCHEMBL6133370 0.87 ADRB3 (0.56) ADRB3ADRB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050090669-A1 Aminoalcohol derivatives as beta-3 adrenergic receptor agonists ASTELLAS PHARMA INC. (JP) 2005-04-28 US 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-20050090669-A1 Aminoalcohol derivatives as beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 ADRB3 3/4885ADRB1 2/4885RAF1 2228/4885

“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.