SCHEMBL6133698

SCHEMBL6133698

COC(=O)c1ccc(Oc2ccc3c(c2)C[C@@H](N(C[C@@H](O)c2ccc(Cl)cc2)C(=O)OC(C)(C)C)CC3)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 16/20 0.52
ADRB1 P08588 5/20 0.43
GHSR Q92847 1/20 0.36
MCHR1 Q99705 1/20 0.36
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35

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
SCHEMBL6133696 1.00 ADRB3 (0.52) ADRB3ADRB1GHSRMCHR1DRD2
SCHEMBL6135324 0.93 ADRB3 (0.56) ADRB3ADRB1GHSR
SCHEMBL6135321 0.93 ADRB3 (0.56) ADRB3ADRB1GHSR
SCHEMBL6134556 0.91 ADRB3 (0.49) ADRB3ADRB1GHSRMCHR1
SCHEMBL6134558 0.91 ADRB3 (0.49) ADRB3ADRB1GHSRMCHR1
SCHEMBL6134031 0.91 ADRB3 (0.56) ADRB3ADRB1
SCHEMBL6134028 0.91 ADRB3 (0.56) ADRB3ADRB1
SCHEMBL6134429 0.89 ADRB3 (0.49) ADRB3ADRB1GHSR
SCHEMBL6134431 0.89 ADRB3 (0.49) ADRB3ADRB1GHSR
SCHEMBL6134895 0.89 ADRB3 (0.65) ADRB3ADRB1GHSR

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 2/4885GHSR 476/4885

“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.