SCHEMBL6133907

SCHEMBL6133907

CCOC(=O)C=Cc1ccc(-c2ccc3c(c2)C[C@@H](N(C[C@H](O)c2ccc(Cl)cc2)C(=O)OC(C)(C)C)CC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.41
ADRB1 P08588 7/20 0.41
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL6133902 1.00 ADRB3 (0.41) ADRB3ADRB1USP2MAPTCA12
SCHEMBL6134327 0.91 ADRB3 (0.44) ADRB3ADRB1
SCHEMBL6134323 0.91 ADRB3 (0.44) ADRB3ADRB1
SCHEMBL6134328 0.91 ADRB3 (0.44) ADRB3ADRB1
SCHEMBL6135470 0.88 ADRB3 (0.45) ADRB3ADRB1
SCHEMBL6135475 0.88 ADRB3 (0.45) ADRB3ADRB1
SCHEMBL6133908 0.84 ADRB3 (0.43) ADRB3ADRB1
SCHEMBL6133641 0.84 ADRB3 (0.41) ADRB3ADRB1
SCHEMBL6133638 0.84 ADRB3 (0.41) ADRB3ADRB1
SCHEMBL6134371 0.82 ADRB3 (0.49) 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 2/4885USP2 1945/4885

“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.