SCHEMBL7122416

SCHEMBL7122416

CC(C)(C)OC(=O)N(CCc1ccc(N)cc1)C[C@@H](O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 4/20 0.46
BACE1 P56817 5/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 1/20 0.43
TAAR1 Q96RJ0 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
AOC3 Q16853 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38

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
SCHEMBL7694265 1.00 ADRB3 (0.46) ADRB3BACE1KDM4EALDH1A1TAAR1
SCHEMBL7122412 1.00 ADRB3 (0.46) ADRB3BACE1KDM4EALDH1A1TAAR1
SCHEMBL7122414 0.95 BACE1 (0.44) ADRB3BACE1KDM4EALDH1A1TAAR1
SCHEMBL27635276 0.90 GLI1 (0.46) ADRB3BACE1KDM4EALDH1A1TAAR1
SCHEMBL19245779 0.90 TAAR1 (0.46) ADRB3BACE1KDM4EALDH1A1TAAR1
SCHEMBL12834438 0.89 BACE1 (0.44) ADRB3BACE1KDM4EALDH1A1TAAR1
SCHEMBL7120686 0.87 ADRB3 (0.43) ADRB3BACE1
SCHEMBL7993383 0.87 CYP51A1 (0.46) ADRB3BACE1
SCHEMBL7120679 0.87 ADRB3 (0.43) ADRB3BACE1
SCHEMBL17177098 0.85 KCNH2 (0.45) BACE1KDM4EALDH1A1MEN1KMT2A

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 ADRB3 3/4885BACE1 396/4885KDM4E 4172/4885
US-20020032222-A1 Azolidines as beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB3 ADRB3 3/4885BACE1 396/4885KDM4E 4172/4885

“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.