SCHEMBL7094898

SCHEMBL7094898

CC(C)(C)[Si](Oc1ccc(CN(F)C(=O)N2CCC(Nc3ccc(CCNOC=O)cc3)CC2)cc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.41
ADRB1 P08588 10/20 0.41
RORC P51449 3/20 0.41
CACNA1B Q00975 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LTA4H P09960 1/20 0.35
MAPT P10636 2/20 0.35
ADRB2 P07550 1/20 0.35
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7570722 0.87 NAMPT (0.43) ADRB3ADRB1RORCCACNA1BALDH1A1
SCHEMBL7094896 0.81 ADRB3 (0.51) ADRB3ADRB1MAPTADRB2
SCHEMBL7091450 0.76 ADRB3 (0.74) ADRB3ADRB1ADRB2
SCHEMBL7094525 0.74 ADRB3 (0.71) ADRB3ADRB1ADRB2
SCHEMBL7600554 0.74 ADRB3 (0.71) ADRB3ADRB1ADRB2
SCHEMBL7094990 0.74 ADRB3 (0.63) ADRB3ADRB1ADRB2
SCHEMBL7092157 0.74 ADRB3 (0.73) ADRB3ADRB1CACNA1BADRB2
SCHEMBL7094254 0.73 ADRB3 (0.73) ADRB3ADRB1ADRB2
SCHEMBL7095364 0.72 ADRB3 (0.61) ADRB3ADRB1ADRB2
SCHEMBL7570375 0.72 ADRB3 (0.67) ADRB3ADRB1ADRB2

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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US disclosed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 ADRB3 3/4885ADRB1 2/4885RORC 1273/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885ADRB1 1/4885RORC 1135/4885

“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.