SCHEMBL7095896

SCHEMBL7095896

CC(C)(C)OC(=O)NCCc1ccc(NC2CCN(C(=O)CCC(=O)N3CCOCC3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.53
SIGMAR1 Q99720 3/20 0.52
NAMPT P43490 1/20 0.48
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MLNR O43193 2/20 0.45
FKBP1A P62942 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 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
SCHEMBL23928179 0.86 NAMPT (0.52) SIGMAR1NAMPTALDH1A1MAPK1NPC1
SCHEMBL7571833 0.81 NAMPT (0.42) SIGMAR1NAMPTALDH1A1MAPK1NPC1
SCHEMBL23291278 0.80 NAMPT (0.50) SIGMAR1NAMPTALDH1A1MAPTNPSR1
SCHEMBL23291152 0.79 NAMPT (0.54) SIGMAR1NAMPTMAPTHTTNPSR1
SCHEMBL7091709 0.79 ADRB3 (0.59) SIGMAR1NAMPTALDH1A1MAPK1NPC1
SCHEMBL7091374 0.78 NAMPT (0.48) SIGMAR1NAMPTALDH1A1MAPK1NPC1
SCHEMBL7091492 0.78 ALDH1A1 (0.54) SIGMAR1NAMPTALDH1A1MAPK1NPC1
SCHEMBL7091316 0.78 ALDH1A1 (0.49) SIGMAR1NAMPTALDH1A1MAPK1NPC1
SCHEMBL7091377 0.78 ADRB3 (0.49) SIGMAR1NAMPTALDH1A1MAPK1NPC1
SCHEMBL23928203 0.78 NAMPT (0.52) SIGMAR1NAMPTALDH1A1MAPK1NPC1

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 TAAR1 219/4885SIGMAR1 153/4885NAMPT 2905/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 TAAR1 179/4885SIGMAR1 125/4885NAMPT 2909/4885

“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.