SCHEMBL7092095

SCHEMBL7092095

CC(C)(C)OC(=O)NCCc1ccc(SC2CCN(C(=O)Nc3ccccc3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.63
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 1/20 0.45
FAAH O00519 1/20 0.45
SIGMAR1 Q99720 3/20 0.45
RAB9A P51151 1/20 0.44
DRD2 P14416 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7696117 0.87 FAAH (0.51) NAMPTTDP1ALDH1A1FAAHRAB9A
SCHEMBL7570820 0.83 CYP3A4 (0.47) NAMPTALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL7096159 0.81 FAAH (0.53) TDP1ALDH1A1FAAHRAB9ASMN1; SMN2
SCHEMBL7092200 0.77 ALDH1A1 (0.47) NAMPTALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL7094818 0.73 NAMPT (0.55) NAMPTALDH1A1RAB9A
SCHEMBL7091378 0.73 ADRB1 (0.61)
SCHEMBL572740 0.73 IDO1 (0.60) NAMPTALDH1A1SIGMAR1RAB9A
SCHEMBL2873843 0.72 NAMPT (0.64) NAMPTRAB9AMEN1KMT2A
SCHEMBL23291244 0.71 NAMPT (0.60) NAMPTALDH1A1RAB9ADRD2MEN1
SCHEMBL18800977 0.71 NAMPT (0.58) NAMPTSIGMAR1RAB9A

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 4 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

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 2905/4885TDP1 3384/4885ALDH1A1 725/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 NAMPT 2909/4885TDP1 2707/4885ALDH1A1 524/4885

“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.