SCHEMBL7130723

SCHEMBL7130723

CCCCc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3cccc4[nH]c(=O)[nH]c34)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.74
ADRB2 P07550 4/20 0.48
ADRB1 P08588 4/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
ALOX15 P16050 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL7130729 1.00 ADRB3 (0.74) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL7159789 0.92 ADRB3 (0.71) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL7159795 0.92 ADRB3 (0.71) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL7130719 0.92 ADRB3 (0.75) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL7130724 0.92 ADRB3 (0.75) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL7133358 0.89 ADRB3 (0.71) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL7137657 0.89 ADRB3 (0.71) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL7133363 0.89 ADRB3 (0.71) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL7137663 0.89 ADRB3 (0.71) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL7139480 0.88 ADRB3 (0.69) ADRB3ADRB2ADRB1MEN1CYP1A2

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 4/4885ADRB2 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.