SCHEMBL7091978

SCHEMBL7091978

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
NAMPT P43490 1/20 0.42
ADRB3 P13945 9/20 0.41
ADRB1 P08588 8/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RORC P51449 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
IGF1R P08069 1/20 0.36

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) ALDH1A1NAMPTADRB3ADRB1MAPT
SCHEMBL7570722 0.84 NAMPT (0.43) ALDH1A1NAMPTADRB3ADRB1MAPT
SCHEMBL7091977 0.81 ADRB3 (0.52) ALDH1A1NAMPTADRB3ADRB1MAPT
SCHEMBL13598882 0.78 RAB9A (0.50) NAMPTMAPTNPC1RAB9A
SCHEMBL7091377 0.76 ADRB3 (0.49) ALDH1A1NAMPTADRB3ADRB1MAPT
SCHEMBL7575735 0.74 NAMPT (0.47) ALDH1A1NAMPTADRB3ADRB1MAPT
Formic Acid SCHEMBL7096290 0.74 TPSAB1 (0.50) ADRB3ADRB1MAPT
SCHEMBL7091316 0.73 ALDH1A1 (0.49) ALDH1A1NAMPTADRB3ADRB1MAPT
SCHEMBL7575447 0.73 ALDH1A1 (0.43) ALDH1A1NAMPTADRB3ADRB1MAPT
SCHEMBL7091709 0.73 ADRB3 (0.59) ALDH1A1NAMPTADRB3ADRB1MAPT

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