Sugi Predict

Sugi Predict / Compounds / SCHEMBL6285735

SCHEMBL6285735

SCHEMBL6285735

CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@H]1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.40
▸ BACE2 Q9Y5Z0 1/20 0.40
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ AAK1 Q2M2I8 2/20 0.35
▸ LIPG Q9Y5X9 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ ABCB1 P08183 1/20 0.33
▸ OXTR P30559 1/20 0.33
▸ AVPR1A P37288 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ F11 P03951 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33

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
SCHEMBL6286856 0.84 HDAC3 (0.40) HDAC3HDAC1HDAC2NCOR2OXTR
SCHEMBL6481175 0.81 BACE1 (0.36) BACE1BACE2PRMT5WDR77AAK1
SCHEMBL6278123 0.79 FFAR4 (0.39) HDAC3HDAC1HDAC2NCOR2OXTR
SCHEMBL19585374 0.77 HTR1A (0.41) LIPGROCK1
SCHEMBL19585373 0.77 HTR1A (0.41) LIPGROCK1
SCHEMBL6285678 0.76 OXTR (0.39) HDAC3HDAC1HDAC2NCOR2OXTR
SCHEMBL6785477 0.75 SLC8A1 (0.32) BACE1BACE2FFAR4
SCHEMBL6785471 0.75 SLC8A1 (0.32) BACE1BACE2FFAR4
SCHEMBL6031402 0.75 SLC8A1 (0.32) BACE1BACE2FFAR4
SCHEMBL6794039 0.75 SLC8A1 (0.32) BACE1BACE2FFAR4

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 BACE1 1113/4885BACE2 1237/4885HDAC3 979/4885
US-20040072828-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 BACE1 1113/4885BACE2 1237/4885HDAC3 979/4885
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 BACE1 1113/4885BACE2 1237/4885HDAC3 979/4885

“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.