SCHEMBL7575436

SCHEMBL7575436

CC(C)(C)OC(=O)NCCc1ccc(NC2CCN(C(=O)NCCC(=O)NCc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.47
ADRB3 P13945 4/20 0.46
ADRB1 P08588 3/20 0.44
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 2/20 0.43
ROCK2 O75116 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 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
SCHEMBL7575441 0.88 NAMPT (0.45) NAMPTADRB3ADRB1ALDH1A1HTT
SCHEMBL7095299 0.85 NAMPT (0.51) NAMPTADRB3ADRB1ALDH1A1HTT
SCHEMBL7091374 0.83 NAMPT (0.48) NAMPTADRB3ADRB1ALDH1A1HTT
SCHEMBL7091709 0.82 ADRB3 (0.59) NAMPTADRB3ADRB1ALDH1A1HTT
SCHEMBL7091903 0.79 NAMPT (0.48) NAMPTADRB3ADRB1ALDH1A1HTT
Formic Acid SCHEMBL7091936 0.79 TPSAB1 (0.48) NAMPTADRB3ADRB1ALDH1A1HTT
SCHEMBL7575447 0.77 ALDH1A1 (0.43) NAMPTADRB3ADRB1ALDH1A1HTT
SCHEMBL7095896 0.77 TAAR1 (0.53) NAMPTALDH1A1HTTNPC1MAPT
Formic Acid SCHEMBL7094920 0.77 TPSAB1 (0.47) NAMPTADRB3ADRB1ALDH1A1HTT
SCHEMBL7092308 0.77 ALDH1A1 (0.47) NAMPTADRB3ADRB1ALDH1A1ROCK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 NAMPT 2909/4885ADRB3 2/4885ADRB1 1/4885

“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.