SCHEMBL7096026

SCHEMBL7096026

CC(C)(C)OC(=O)NCCc1ccc(NC2CCN(C(=O)OCc3cc(F)ccc3F)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.49
ADRB3 P13945 6/20 0.49
GPR119 Q8TDV5 1/20 0.46
ADRB2 P07550 1/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NAMPT P43490 1/20 0.43
DNMT3A Q9Y6K1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MLNR O43193 2/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7091316 0.90 ALDH1A1 (0.49) ADRB1ADRB3ALDH1A1MAPTHTT
Formic Acid SCHEMBL7097289 0.82 ADRB1 (0.50) ADRB1ADRB3ADRB2ALDH1A1MAPT
Formic Acid SCHEMBL7091593 0.78 ADRB3 (0.58) ADRB1ADRB3ADRB2ALDH1A1MAPT
SCHEMBL7095299 0.77 NAMPT (0.51) ADRB1ADRB3ALDH1A1MAPTHTT
SCHEMBL7095412 0.76 ADRB3 (0.80) ADRB1ADRB3ADRB2
SCHEMBL7575735 0.75 NAMPT (0.47) ADRB1ADRB3ALDH1A1MAPTHTT
SCHEMBL7091492 0.74 ALDH1A1 (0.54) ALDH1A1MAPTHTTNPC1MAPK1
SCHEMBL7091709 0.74 ADRB3 (0.59) ADRB1ADRB3ALDH1A1MAPTHTT
SCHEMBL7095896 0.74 TAAR1 (0.53) ALDH1A1MAPTHTTNPC1MAPK1
SCHEMBL7092134 0.74 ADRB3 (0.65) ADRB1ADRB3ADRB2ALDH1A1MLNR

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-6605618-B2 Antidiabetic agents; hypoglycemic agents; anticholesterol agents; side effect reduction WYETH 2003-08-12 US disclosed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US disclosed
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 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 ADRB1 2/4885ADRB3 3/4885GPR119 7/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB1 1/4885ADRB3 2/4885GPR119 4/4885

“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.