SCHEMBL7542782

SCHEMBL7542782

O=c1[nH]c2cccc(OC[C@H](O)CN(C3CCNCC3)S(=O)(=O)c3ccc4oc5ccccc5c4c3)c2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.61
ADRB2 P07550 4/20 0.39
ADRB1 P08588 3/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.39
KEAP1 Q14145 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KCNH2 Q12809 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2D6 P10635 1/20 0.34
CASR P41180 1/20 0.34
BACE1 P56817 3/20 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
SCHEMBL7542776 1.00 ADRB3 (0.61) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL7235353 0.76 ADRB3 (1.00) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL7235360 0.76 ADRB3 (1.00) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL7543870 0.71 ADRB3 (0.60) ADRB3ADRB2ADRB1KMT2ASLC6A2
SCHEMBL7132624 0.66 ADRB3 (0.65) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL7469316 0.64 ADRB3 (0.42) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL7138264 0.64 ADRB3 (0.65) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL7960965 0.64 ADRB3 (0.56) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL7960959 0.64 ADRB3 (0.56) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL7226984 0.63 ADRB3 (0.60) ADRB3ADRB2ADRB1KMT2ALMNA

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-6498170-B2 4-((2S)-3-(1-(4-BUTOXY-BENZENESULFONYL)-AZETIDIN-3-YLAMINO)-2 -HYDROXY- PROPOXY)-PHENOL FOR EXAMPLE; HYPOGLYCEMIC AGENT; INCREASING LEAN MEAT TO FAT RATIO IN MAMMALS WYETH 2002-12-24 US disclosed
US-20020022605-A1 Cyclamine sulfonamides as beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-02-21 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-20020022605-A1 Cyclamine sulfonamides as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 ADRB3 1/4885ADRB2 3/4885ADRB1 2/4885

“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.