SCHEMBL7092873

SCHEMBL7092873

O=C(O)NCCc1ccc(NC2CCN(C(=O)NCCc3cccc(F)c3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 5/20 0.49
ALDH1A1 P00352 1/20 0.48
FAAH O00519 1/20 0.47
ADRB1 P08588 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NAMPT P43490 1/20 0.46
MLNR O43193 2/20 0.46
CYP3A4 P08684 1/20 0.46
MC4R P32245 1/20 0.46
CHRM4 P08173 1/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL7091154 0.94 ADRB3 (0.51) ADRB3ALDH1A1FAAHADRB1KMT2A
SCHEMBL7097083 0.92 TPSAB1 (0.53) ADRB3ALDH1A1FAAHADRB1KMT2A
SCHEMBL7095375 0.90 KMT2A (0.58) ADRB3ALDH1A1ADRB1KMT2AMEN1
SCHEMBL7092013 0.87 ADRB3 (0.53) ADRB3ALDH1A1ADRB1KMT2AMEN1
SCHEMBL7092875 0.85 ALDH1A1 (0.56) ADRB3ALDH1A1FAAHADRB1KMT2A
SCHEMBL7091498 0.85 ADRB1 (0.62) ADRB3ALDH1A1ADRB1KMT2AMEN1
SCHEMBL7096976 0.84 ADRB3 (0.63) ADRB3ALDH1A1ADRB1KMT2AMEN1
SCHEMBL7092134 0.83 ADRB3 (0.65) ADRB3ALDH1A1ADRB1KMT2AMEN1
SCHEMBL7096321 0.83 ADRB3 (0.65) ADRB3ALDH1A1ADRB1KMT2AMEN1
SCHEMBL7091403 0.83 ADRB3 (0.51) ADRB3FAAHADRB1KMT2AMEN1

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 ADRB3 3/4885ALDH1A1 725/4885FAAH 853/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885ALDH1A1 524/4885FAAH 832/4885

“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.