SCHEMBL7133458

SCHEMBL7133458

COc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.83
ADRB1 P08588 6/20 0.83
ADRB2 P07550 5/20 0.60
DRD2 P14416 3/20 0.54
KDM4E B2RXH2 1/20 0.54
TLR4 O00206 1/20 0.54
SLC22A2 O15244 1/20 0.54
SLC22A1 O15245 1/20 0.54
MLNR O43193 1/20 0.54
NR1I2 O75469 1/20 0.54
KCNK2 O95069 1/20 0.54
ABCB11 O95342 1/20 0.54
APP P05067 1/20 0.54
ABCB1 P08183 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
ADRA2B P18089 1/20 0.54

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
SCHEMBL7699700 1.00 ADRB3 (0.83) ADRB3ADRB1ADRB2DRD2KDM4E
SCHEMBL7135095 0.92 ADRB3 (0.80) ADRB3ADRB1ADRB2DRD2KDM4E
SCHEMBL7134587 0.92 ADRB3 (0.80) ADRB3ADRB1ADRB2DRD2KDM4E
SCHEMBL7136118 0.92 ADRB3 (0.82) ADRB3ADRB1ADRB2DRD2KDM4E
SCHEMBL7138803 0.92 ADRB3 (0.83) ADRB3ADRB1ADRB2DRD2KDM4E
SCHEMBL7137476 0.91 ADRB3 (0.83) ADRB3ADRB1ADRB2DRD2KDM4E
SCHEMBL7594941 0.91 ADRB3 (1.00) ADRB3ADRB1ADRB2DRD2KDM4E
SCHEMBL7135284 0.91 ADRB3 (0.80) ADRB3ADRB1ADRB2DRD2KDM4E
SCHEMBL7130921 0.91 ADRB3 (0.78) ADRB3ADRB1ADRB2DRD2KDM4E
SCHEMBL6983938 0.91 ADRB3 (1.00) ADRB3ADRB1ADRB2DRD2KDM4E

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-20020037907-A1 Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-28 US claimed
WO-2002006255-A2 HYDROXY-(PIPERIDIN-4-YL-METHYLAMINO)-ALKYL BETA-3 ADRENERGIC RECEPTOR ANTAGONISTS WYETH (US) 2002-01-24 WO claimed
US-6506901-B2 1-(9H-Carbazol-4-yloxy)-3-((1-(7-trifluoromethyl-quinolin-4-yl) -piperidin-4-lmethyl)-amino)-propan-2-ol, for example; treating diabetes, urinary continence, atherosclerosis, gastrointestinal disorders, glaucoma WYETH 2003-01-14 US disclosed
US-20020037907-A1 Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-28 US disclosed
WO-2002006255-A2 HYDROXY-(PIPERIDIN-4-YL-METHYLAMINO)-ALKYL BETA-3 ADRENERGIC RECEPTOR ANTAGONISTS 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 (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-20020037907-A1 Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB2 ADRB3 4/4885ADRB1 2/4885ADRB2 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.