SCHEMBL7120714

SCHEMBL7120714

CC(C)(C)OC(=O)O[C@H](COc1ccccc1)CN(CCc1ccc(N)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 1/20 0.49
CYP2D6 P10635 4/20 0.37
HTR2A P28223 3/20 0.37
LTB4R Q15722 3/20 0.35
LTB4R2 Q9NPC1 3/20 0.35
PPARG P37231 1/20 0.34
ALOX5 P09917 1/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33
NCOR2 Q9Y618 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
SCHEMBL7120719 1.00 ADRB3 (0.49) ADRB3CYP2D6HTR2ALTB4RLTB4R2
SCHEMBL7111944 0.89 ADRB3 (0.44) ADRB3CYP2D6HTR2ALTB4RLTB4R2
SCHEMBL7117639 0.89 ADRB3 (0.44) ADRB3CYP2D6HTR2ALTB4RLTB4R2
SCHEMBL7171059 0.87 KCNH2 (0.46) ADRB3ALDH1A1
SCHEMBL7171047 0.87 KCNH2 (0.46) ADRB3ALDH1A1
SCHEMBL7115609 0.86 ADRB3 (0.62) ADRB3CYP2D6ALDH1A1CYP1A2MAPT
SCHEMBL7120397 0.85 ADRB3 (0.42) ADRB3MAPT
SCHEMBL7113390 0.85 ADRB3 (0.37) ADRB3CYP2D6HTR2ALTB4RLTB4R2
SCHEMBL7120405 0.85 ADRB3 (0.42) ADRB3MAPT
SCHEMBL7113384 0.85 ADRB3 (0.37) ADRB3CYP2D6HTR2ALTB4RLTB4R2

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 3/4885CYP2D6 647/4885HTR2A 781/4885

“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.