SCHEMBL6281320

SCHEMBL6281320

O=C(O)c1cccc(CCc2ccc3c(c2)CC[C@@H](CNC[C@H](O)c2cccnc2)O3)c1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.51
ADRB1 P08588 14/20 0.51
ADRB2 P07550 9/20 0.51

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
SCHEMBL6277315 1.00 ADRB3 (0.51) ADRB3ADRB1ADRB2
SCHEMBL6277312 1.00 ADRB3 (0.51) ADRB3ADRB1ADRB2
SCHEMBL6281331 1.00 ADRB3 (0.51) ADRB3ADRB1ADRB2
SCHEMBL6406655 0.94 ADRB3 (0.50) ADRB3ADRB1ADRB2
SCHEMBL6406650 0.94 ADRB3 (0.50) ADRB3ADRB1ADRB2
SCHEMBL6280116 0.94 ADRB3 (0.50) ADRB3ADRB1ADRB2
SCHEMBL6280119 0.94 ADRB3 (0.50) ADRB3ADRB1ADRB2
SCHEMBL6861258 0.90 ADRB3 (0.52) ADRB3ADRB1ADRB2
SCHEMBL27555656 0.90 ADRB3 (0.52) ADRB3ADRB1ADRB2
SCHEMBL6286558 0.89 ADRB3 (0.50) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050215594-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION (US) 2005-09-29 US disclosed
US-6919371-B2 2,6-substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION (US) 2005-07-19 US disclosed
US-20040072828-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2004-04-15 US disclosed
US-6660752-B2 Adrenergic blocking agents BAYER PHARMACEUTICALS CORPORATION 2003-12-09 US disclosed
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2003-04-24 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 (3 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-20050215594-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 ADRB3 1/4885ADRB1 3/4885ADRB2 2/4885
US-20040072828-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 ADRB3 1/4885ADRB1 3/4885ADRB2 2/4885
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 ADRB3 1/4885ADRB1 3/4885ADRB2 2/4885

“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.