SCHEMBL7117697

SCHEMBL7117697

CC(C)(C)OC(=O)N(CCc1ccccc1)C[C@H](O)COc1ccc(NCc2ccc(Br)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 2/20 0.54
KCNH2 Q12809 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
ABCB1 P08183 2/20 0.40
LMNA P02545 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7117695 0.97 ADRB3 (0.53) ADRB3KCNH2ALDH1A1MAPTCYP1A2
SCHEMBL7118263 0.93 ADRB3 (0.54) ADRB3ALDH1A1MAPTMEN1KMT2A
SCHEMBL7124863 0.88 MAPT (0.46) ADRB3KCNH2ALDH1A1MAPTCYP1A2
SCHEMBL7124858 0.85 ADRB1 (0.47) ADRB3KCNH2ALDH1A1MAPTCYP1A2
SCHEMBL7118226 0.85 MAPT (0.50) ADRB3KCNH2ALDH1A1MAPTCYP1A2
SCHEMBL7168533 0.82 AGER (0.48) ADRB3ALDH1A1MAPTMEN1KMT2A
SCHEMBL7115615 0.81 ADRB3 (0.62) ADRB3KCNH2ALDH1A1MAPTCYP1A2
SCHEMBL7115609 0.80 ADRB3 (0.62) ADRB3KCNH2ALDH1A1MAPTCYP1A2
SCHEMBL7122878 0.79 ADRB3 (0.60) ADRB3KCNH2ALDH1A1MAPTCYP1A2
SCHEMBL7123781 0.78 ADRB3 (0.61) ADRB3KCNH2ALDH1A1MAPTCYP1A2

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-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
WO-2002006258-A1 AZOLIDINES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO 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 3/4885KCNH2 758/4885ALDH1A1 1058/4885
US-20020032222-A1 Azolidines as beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB3 ADRB3 3/4885KCNH2 758/4885ALDH1A1 1058/4885

“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.