SCHEMBL7091977

SCHEMBL7091977

CN(C)C(=O)Oc1ccc(CNC(=O)N2CCC(Nc3ccc(CCNC(=O)OC(C)(C)C)cc3)CC2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.52
ADRB1 P08588 12/20 0.52
ADRB2 P07550 1/20 0.42
NAMPT P43490 1/20 0.41
ALDH1A1 P00352 2/20 0.41
IGF1R P08069 1/20 0.39
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL7091903 0.88 NAMPT (0.48) ADRB3ADRB1ADRB2NAMPTALDH1A1
Formic Acid SCHEMBL7094001 0.86 ADRB3 (0.54) ADRB3ADRB1ADRB2MAPT
SCHEMBL7570714 0.84 ADRB3 (0.49) ADRB3ADRB1ADRB2NAMPTALDH1A1
Formic Acid SCHEMBL7091593 0.83 ADRB3 (0.58) ADRB3ADRB1ADRB2NAMPTALDH1A1
SCHEMBL7632236 0.83 ADRB3 (0.52) ADRB3ADRB1ADRB2NAMPTALDH1A1
SCHEMBL7091978 0.81 ALDH1A1 (0.44) ADRB3ADRB1NAMPTALDH1A1IGF1R
SCHEMBL7593202 0.81 ADRB3 (0.81) ADRB3ADRB1ADRB2
SCHEMBL7091502 0.81 ADRB3 (0.81) ADRB3ADRB1ADRB2
SCHEMBL7096101 0.78 ADRB3 (0.64) ADRB3ADRB1ADRB2
Formic Acid SCHEMBL7096290 0.76 TPSAB1 (0.50) ADRB3ADRB1ADRB2MAPT

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-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
WO-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS 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 (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 2/4885ADRB2 1/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885ADRB1 1/4885ADRB2 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.