SCHEMBL6281538

SCHEMBL6281538

COc1cc(C)nc(NS(=O)(=O)c2ccc(-c3ccc4c(c3)CC[C@H](CNC[C@@H](O)c3cccnc3)O4)cc2OC(F)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 17/20 0.36
ADRB3 P13945 16/20 0.36
ADRB2 P07550 13/20 0.36
ALPL P05186 1/20 0.35
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 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
SCHEMBL6281526 1.00 ADRB1 (0.36) ADRB1ADRB3ADRB2ALPLFFAR1
SCHEMBL6283569 0.96 ALPL (0.37) ADRB1ADRB3ADRB2ALPLFFAR1
SCHEMBL6283530 0.96 ALPL (0.37) ADRB1ADRB3ADRB2ALPLFFAR1
SCHEMBL6283965 0.89 ADRB2 (0.42) ADRB1ADRB3ADRB2
SCHEMBL6283977 0.89 ADRB2 (0.42) ADRB1ADRB3ADRB2
SCHEMBL6284584 0.84 ADRB2 (0.41) ADRB1ADRB3ADRB2ALPL
SCHEMBL6284591 0.84 ADRB2 (0.41) ADRB1ADRB3ADRB2ALPL
SCHEMBL6284938 0.79 ADRB2 (0.46) ADRB1ADRB3ADRB2
SCHEMBL6284946 0.79 ADRB2 (0.46) ADRB1ADRB3ADRB2
SCHEMBL6284190 0.76 ADRB3 (0.52) ADRB1ADRB3ADRB2

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 12 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 claimed
EP-1389202-B1 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER PHARMACEUTICALS CORP (US) 2004-09-29 EP claimed
US-20040072828-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2004-04-15 US claimed
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2003-04-24 US claimed
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
EP-1389202-B1 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER PHARMACEUTICALS CORP (US) 2004-09-29 EP disclosed
US-20040072828-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2004-04-15 US disclosed
EP-1389202-A1 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS Bayer Pharmaceuticals Corporation (US) 2004-02-18 EP 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
WO-2002085891-A1 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2002-10-31 WO 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 ADRB1 3/4885ADRB3 1/4885ADRB2 2/4885
US-20040072828-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 ADRB1 3/4885ADRB3 1/4885ADRB2 2/4885
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 ADRB1 3/4885ADRB3 1/4885ADRB2 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.