Sugi Predict

Sugi Predict / Compounds / SCHEMBL7120683

SCHEMBL7120683

SCHEMBL7120683

CC(C)(C)OC(=O)N(CCc1ccccc1)C[C@H](O)c1ccc(N)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 7/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.36
▸ ADRB3 P13945 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ADRB2 P07550 1/20 0.34
▸ ADRB1 P08588 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ ADRA2A P08913 1/20 0.34

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
SCHEMBL7122414 0.85 BACE1 (0.44) BACE1TAAR1ADRB3MEN1NPC1
SCHEMBL7121327 0.85 KMT2A (0.42) BACE1TAAR1MEN1NPC1RAB9A
SCHEMBL7122416 0.81 ADRB3 (0.46) BACE1TAAR1ADRB3MEN1KMT2A
SCHEMBL7122412 0.81 ADRB3 (0.46) BACE1TAAR1ADRB3MEN1KMT2A
SCHEMBL7694265 0.81 ADRB3 (0.46) BACE1TAAR1ADRB3MEN1KMT2A
SCHEMBL7120679 0.80 ADRB3 (0.43) BACE1ADRB3ADRB2ADRB1
SCHEMBL7120686 0.80 ADRB3 (0.43) BACE1ADRB3ADRB2ADRB1
SCHEMBL19245779 0.78 TAAR1 (0.46) BACE1TAAR1ADRB3MEN1KMT2A
SCHEMBL27635276 0.78 GLI1 (0.46) BACE1TAAR1ADRB3MEN1KMT2A
SCHEMBL21278542 0.77 ADRB3 (0.51) BACE1ADRB3ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6569873-B2 Treating or inhibiting metabolic disorders related to insulin resistance or hyperglycemia, atherosclerosis, gastrointestinal disorders, neurogenetic inflammation, glaucoma, ocular hypertension and frequent urination WYETH 2003-05-27 — — US disclosed
US-20030055079-A1 Azolidines as beta-3 adrenergic receptor agonists WYETH 2003-03-20 — — US disclosed
US-6465501-B2 USEFUL IN TREATING OR INHIBITING METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA, ATHEROSCLEROSIS, GASTROINTESTINAL DISORDERS, NEUROGENETIC INFLAMMATION, GLAUCOMA, OCULAR HYPERTENSION AND INCONTINENCE WYETH 2002-10-15 — — US disclosed
US-20020032222-A1 Azolidines as beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-14 — — 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 (2 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-20030055079-A1 Azolidines as beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB3 BACE1 396/4885TAAR1 240/4885ADRB3 3/4885
US-20020032222-A1 Azolidines as beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB3 BACE1 396/4885TAAR1 240/4885ADRB3 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.