SCHEMBL6283856

SCHEMBL6283856

O=C(O)c1ccc(-c2ccc3c(c2)CC[C@H](CNC[C@H](O)c2cccnc2)O3)c(OCC2CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.48
FFAR4 Q5NUL3 3/20 0.48
ADRB1 P08588 9/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
KDM4C Q9H3R0 2/20 0.37
KDM6B O15054 1/20 0.37
CNR2 P34972 1/20 0.36
ADRB2 P07550 1/20 0.36

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
SCHEMBL6283859 1.00 ADRB3 (0.48) ADRB3FFAR4ADRB1PDE4APDE4B
SCHEMBL6277259 0.91 ADRB3 (0.47) ADRB3FFAR4ADRB1ADRB2
SCHEMBL6284610 0.91 ADRB3 (0.47) ADRB3FFAR4ADRB1ADRB2
SCHEMBL6284618 0.91 ADRB3 (0.47) ADRB3FFAR4ADRB1ADRB2
SCHEMBL6277256 0.91 ADRB3 (0.47) ADRB3FFAR4ADRB1ADRB2
SCHEMBL6284130 0.91 ADRB3 (0.49) ADRB3FFAR4ADRB1ADRB2
SCHEMBL6284145 0.91 ADRB3 (0.49) ADRB3FFAR4ADRB1ADRB2
SCHEMBL6283260 0.88 ADRB3 (0.51) ADRB3FFAR4ADRB1ADRB2
SCHEMBL6283497 0.88 ADRB3 (0.51) ADRB3FFAR4ADRB1ADRB2
SCHEMBL6284980 0.88 ADRB3 (0.51) ADRB3FFAR4ADRB1ADRB2

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 15 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
EP-1389202-A1 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS Bayer Pharmaceuticals Corporation (US) 2004-02-18 EP claimed
US-6660752-B2 Adrenergic blocking agents BAYER PHARMACEUTICALS CORPORATION 2003-12-09 US claimed
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2003-04-24 US claimed
WO-2002085891-A1 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2002-10-31 WO 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 ADRB3 1/4885FFAR4 332/4885ADRB1 3/4885
US-20040072828-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 ADRB3 1/4885FFAR4 332/4885ADRB1 3/4885
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 ADRB3 1/4885FFAR4 332/4885ADRB1 3/4885

“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.