SCHEMBL6280608

SCHEMBL6280608

COC(=O)c1ccc(-c2ccc3c(c2)CC[C@@H](CN(C[C@@H](O[Si](C)(C)C(C)(C)C)c2cccnc2)C(=O)OC(C)(C)C)O3)cc1O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 2/20 0.34
ADRB3 P13945 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
CSNK2A1 P68400 1/20 0.32
FFAR4 Q5NUL3 3/20 0.31
SLC8A1 P32418 2/20 0.31
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL6280603 1.00 KDM4D (0.34) KDM4DADRB3GPR119CSNK2A1FFAR4
SCHEMBL6287391 0.91 FFAR4 (0.35) ADRB3GPR119FFAR4SLC8A1FFAR1
SCHEMBL6287396 0.91 FFAR4 (0.35) ADRB3GPR119FFAR4SLC8A1FFAR1
SCHEMBL6282469 0.90 ADRB3 (0.34) KDM4DADRB3GPR119FFAR4
SCHEMBL7090210 0.90 ADRB3 (0.34) KDM4DADRB3GPR119FFAR4
SCHEMBL6285808 0.90 FFAR4 (0.32) ADRB3GPR119FFAR4SLC8A1MKNK1
SCHEMBL6285814 0.90 FFAR4 (0.32) ADRB3GPR119FFAR4SLC8A1MKNK1
SCHEMBL6284029 0.86 FFAR4 (0.35) KDM4DADRB3GPR119FFAR4SLC8A1
SCHEMBL6283648 0.86 ADRB3 (0.38) KDM4DADRB3GPR119FFAR4FFAR1
SCHEMBL6283640 0.86 ADRB3 (0.38) KDM4DADRB3GPR119FFAR4FFAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20040072828-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 KDM4D 4135/4885ADRB3 1/4885GPR119 109/4885

“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.