Sugi Predict

Sugi Predict / Compounds / SCHEMBL6283862

SCHEMBL6283862

SCHEMBL6283862

[CH2][C@@H](O[Si](C)(C)C(C)(C)C)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 2/20 0.41
▸ GOPC Q9HD26 2/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP19A1 P11511 2/20 0.37
▸ GAA P10253 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP17A1 P05093 1/20 0.35

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
SCHEMBL6491522 0.80 CYP19A1 (0.41) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL7808015 0.79 CFTR (0.40) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL23354817 0.77 CFTR (0.38) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL8873323 0.76 SMN1; SMN2 (0.41) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL6629617 0.75 CFTR (0.48) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL8643958 0.74 SMN1; SMN2 (0.40) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL21143806 0.73 CYP19A1 (0.37) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL23354868 0.73 CNR1 (0.41) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL24933822 0.71 SMN1; SMN2 (0.42) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL23354901 0.70 ALDH1A1 (0.42) SMN1; SMN2KDM4EGAALMNAL3MBTL1

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 CFTR 2512/4885GOPC 2149/4885SLC6A2 181/4885
US-20040072828-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 CFTR 2512/4885GOPC 2149/4885SLC6A2 181/4885
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 CFTR 2512/4885GOPC 2149/4885SLC6A2 181/4885

“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.