Sugi Predict

Sugi Predict / Compounds / SCHEMBL6286792

SCHEMBL6286792

SCHEMBL6286792

COC(=O)c1ccc(CCc2ccc3c(c2)CC[C@@H](CN(C[C@H](O[Si](C)(C)C(C)(C)C)c2cccnc2)C(=O)OC(C)(C)C)O3)cc1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 4/20 0.32
▸ DRD3 P35462 2/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ ADRB3 P13945 3/20 0.32
▸ SLC2A1 P11166 1/20 0.31
▸ MGAM O43451 1/20 0.31
▸ AMY1A P0DUB6 1/20 0.31
▸ SLC8A1 P32418 2/20 0.31
▸ NAMPT P43490 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ ADRB2 P07550 1/20 0.30
▸ ADRB1 P08588 1/20 0.30
▸ MCHR1 Q99705 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ S1PR1 P21453 1/20 0.30
▸ S1PR3 Q99500 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
SCHEMBL6286797 1.00 ROCK2 (0.32) ROCK2DRD3HRH1DRD2ADRB3
SCHEMBL7090210 0.88 ADRB3 (0.34) ROCK2HRH1ADRB3SLC2A1
SCHEMBL6282469 0.88 ADRB3 (0.34) ROCK2HRH1ADRB3SLC2A1
SCHEMBL6280603 0.85 KDM4D (0.34) ADRB3SLC8A1
SCHEMBL6287396 0.85 FFAR4 (0.35) ROCK2HRH1ADRB3SLC8A1
SCHEMBL6280608 0.85 KDM4D (0.34) ADRB3SLC8A1
SCHEMBL6287391 0.85 FFAR4 (0.35) ROCK2HRH1ADRB3SLC8A1
SCHEMBL6287356 0.84 HRH1 (0.32) ROCK2HRH1ADRB3SLC2A1MGAM
SCHEMBL6287345 0.84 HRH1 (0.32) ROCK2HRH1ADRB3SLC2A1MGAM
SCHEMBL6283648 0.82 ADRB3 (0.38) ROCK2ADRB3

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 ROCK2 2061/4885DRD3 70/4885HRH1 753/4885
US-20040072828-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 ROCK2 2061/4885DRD3 70/4885HRH1 753/4885
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 ROCK2 2061/4885DRD3 70/4885HRH1 753/4885

“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.