SCHEMBL7090774

SCHEMBL7090774

CC(C)(C)OC(=O)NCCc1ccc(NC2CCNCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.52
IGF1R P08069 1/20 0.49
CA2 P00918 4/20 0.47
CA1 P00915 3/20 0.47
SIGMAR1 Q99720 3/20 0.43
ALDH1A1 P00352 3/20 0.41
ROCK2 O75116 1/20 0.41
EPHX1 P07099 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 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
NPSR1 Q6W5P4 1/20 0.40
FPR3 P25089 2/20 0.40
FPR2 P25090 2/20 0.40
GFER P55789 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
SCHEMBL23928179 0.86 NAMPT (0.52) NAMPTIGF1RCA2CA1SIGMAR1
SCHEMBL23928203 0.86 NAMPT (0.52) NAMPTIGF1RCA2CA1SIGMAR1
SCHEMBL23928131 0.85 NAMPT (0.51) NAMPTIGF1RCA2CA1SIGMAR1
SCHEMBL23928128 0.85 NAMPT (0.51) NAMPTIGF1RCA2CA1SIGMAR1
SCHEMBL7091610 0.84 CA12 (0.54) CA2CA1ALDH1A1EPHX1NPC1
SCHEMBL23291152 0.83 NAMPT (0.54) NAMPTIGF1RCA2CA1SIGMAR1
SCHEMBL23291278 0.82 NAMPT (0.50) NAMPTIGF1RCA2CA1SIGMAR1
SCHEMBL19641909 0.81 ROCK2 (0.49) NAMPTIGF1RCA2CA1ALDH1A1
SCHEMBL7096423 0.81 NPC1 (0.43) ALDH1A1EPHX1NPC1RAB9A
SCHEMBL30479478 0.80 NAMPT (0.59) NAMPTIGF1RCA2CA1SIGMAR1

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 2905/4885IGF1R 403/4885CA2 2958/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 NAMPT 2909/4885IGF1R 243/4885CA2 3038/4885

“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.