SCHEMBL7091374

SCHEMBL7091374

CCN(CC)C(=O)CCNC(=O)N1CCC(Nc2ccc(CCNC(=O)OC(C)(C)C)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.48
SIGMAR1 Q99720 3/20 0.47
ADRB3 P13945 9/20 0.45
ADRB1 P08588 6/20 0.45
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 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
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL7575441 0.86 NAMPT (0.45) NAMPTSIGMAR1ADRB3ADRB1ALDH1A1
SCHEMBL7091709 0.85 ADRB3 (0.59) NAMPTSIGMAR1ADRB3ADRB1ALDH1A1
SCHEMBL7091377 0.84 ADRB3 (0.49) NAMPTSIGMAR1ADRB3ADRB1ALDH1A1
SCHEMBL7095299 0.83 NAMPT (0.51) NAMPTSIGMAR1ADRB3ADRB1ALDH1A1
SCHEMBL7575436 0.83 NAMPT (0.47) NAMPTSIGMAR1ADRB3ADRB1ALDH1A1
SCHEMBL7091903 0.82 NAMPT (0.48) NAMPTSIGMAR1ADRB3ADRB1ALDH1A1
Formic Acid SCHEMBL7091936 0.82 TPSAB1 (0.48) NAMPTSIGMAR1ADRB3ADRB1ALDH1A1
Formic Acid SCHEMBL7096436 0.79 TPSAB1 (0.46) NAMPTSIGMAR1ADRB3ADRB1ALDH1A1
SCHEMBL7091492 0.79 ALDH1A1 (0.54) NAMPTSIGMAR1ALDH1A1MAPTNPC1
SCHEMBL7095896 0.78 TAAR1 (0.53) NAMPTSIGMAR1ALDH1A1MAPTNPC1

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 NAMPT 2905/4885SIGMAR1 153/4885ADRB3 3/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 NAMPT 2909/4885SIGMAR1 125/4885ADRB3 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.