SCHEMBL7113237

SCHEMBL7113237

CC[Si](CC)(CC)O[C@H](CNCCc1ccc(N)cc1)c1ccc(OCc2ccccc2)c(NS(C)(=O)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.45
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
CYP19A1 P11511 2/20 0.38
BCHE P06276 1/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
ADRB2 P07550 2/20 0.37
ADRB1 P08588 1/20 0.37

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
SCHEMBL7119149 0.89 ADRB3 (0.44) ADRB3KMT2ASMN1; SMN2MEN1GAA
SCHEMBL6986483 0.87 ADRB3 (0.48) ADRB3CYP19A1TRPV1
SCHEMBL7114763 0.84 ADRB3 (0.64) ADRB3ADRB2ADRB1
SCHEMBL7605339 0.82 CYP19A1 (0.44) ADRB3SMN1; SMN2CYP19A1TRPV1
SCHEMBL4817546 0.82 CYP19A1 (0.44) ADRB3SMN1; SMN2CYP19A1TRPV1
SCHEMBL5483348 0.82 CYP19A1 (0.44) ADRB3SMN1; SMN2CYP19A1TRPV1
SCHEMBL6479480 0.82 CYP19A1 (0.44) ADRB3SMN1; SMN2CYP19A1TRPV1
SCHEMBL7605348 0.82 CYP19A1 (0.44) ADRB3SMN1; SMN2CYP19A1TRPV1
SCHEMBL7092056 0.79 ADRB3 (0.58) ADRB3ADRB2ADRB1
SCHEMBL7092052 0.79 ADRB3 (0.58) ADRB3ADRB2ADRB1

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 4 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

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 3/4885KMT2A 2903/4885SMN1; SMN2 4155/4885
US-20020032222-A1 Azolidines as beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB3 ADRB3 3/4885KMT2A 2903/4885SMN1; SMN2 4155/4885

“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.