SCHEMBL7091903

SCHEMBL7091903

CN(C)C(=O)Oc1ccc(CCNC(=O)N2CCC(Nc3ccc(CCNC(=O)OC(C)(C)C)cc3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.48
ALDH1A1 P00352 2/20 0.48
ADRB3 P13945 12/20 0.46
ADRB1 P08588 9/20 0.46
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADRB2 P07550 1/20 0.41
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL7091978 0.88 ALDH1A1 (0.44) NAMPTALDH1A1ADRB3ADRB1NPC1
SCHEMBL7091977 0.88 ADRB3 (0.52) NAMPTALDH1A1ADRB3ADRB1NPC1
Formic Acid SCHEMBL7096290 0.85 TPSAB1 (0.50) ADRB3ADRB1MAPTADRB2TPSAB1
SCHEMBL7091709 0.84 ADRB3 (0.59) NAMPTALDH1A1ADRB3ADRB1NPC1
SCHEMBL7091374 0.82 NAMPT (0.48) NAMPTALDH1A1ADRB3ADRB1NPC1
SCHEMBL13598882 0.82 RAB9A (0.50) NAMPTNPC1MAPTRAB9A
SCHEMBL7575441 0.81 NAMPT (0.45) NAMPTALDH1A1ADRB3ADRB1NPC1
Formic Acid SCHEMBL7091936 0.80 TPSAB1 (0.48) NAMPTALDH1A1ADRB3ADRB1NPC1
SCHEMBL7575436 0.79 NAMPT (0.47) NAMPTALDH1A1ADRB3ADRB1NPC1
SCHEMBL7094818 0.79 NAMPT (0.55) NAMPTALDH1A1ADRB3ADRB1NPC1

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 NAMPT 2905/4885ALDH1A1 725/4885ADRB3 3/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 NAMPT 2909/4885ALDH1A1 524/4885ADRB3 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.