SCHEMBL7091154

SCHEMBL7091154

O=C(O)NCCc1ccc(NC2CCN(C(=O)NCc3cccc(F)c3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 7/20 0.51
ADRB1 P08588 6/20 0.51
CTDSP1 Q9GZU7 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ADRB2 P07550 1/20 0.47
TPSAB1 Q15661 1/20 0.46
POLB P06746 1/20 0.46
FAAH O00519 1/20 0.46

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
SCHEMBL7092873 0.94 ADRB3 (0.49) ADRB3ADRB1ALDH1A1MEN1KMT2A
SCHEMBL7092013 0.91 ADRB3 (0.53) ADRB3ADRB1CTDSP1TDP1ALDH1A1
SCHEMBL7091498 0.89 ADRB1 (0.62) ADRB3ADRB1ALDH1A1MEN1KMT2A
SCHEMBL7096976 0.86 ADRB3 (0.63) ADRB3ADRB1CTDSP1TDP1ALDH1A1
SCHEMBL7097083 0.86 TPSAB1 (0.53) ADRB3ADRB1ALDH1A1MEN1KMT2A
SCHEMBL7092879 0.86 PKM (0.53) ADRB3ADRB1CTDSP1TDP1ALDH1A1
Formic Acid SCHEMBL7094276 0.86 ADRB3 (0.49) ADRB3ADRB1ALDH1A1MEN1KMT2A
SCHEMBL7092134 0.86 ADRB3 (0.65) ADRB3ADRB1ALDH1A1MEN1KMT2A
SCHEMBL7096321 0.86 ADRB3 (0.65) ADRB3ADRB1ALDH1A1MEN1KMT2A
SCHEMBL7095375 0.86 KMT2A (0.58) ADRB3ADRB1ALDH1A1MEN1KMT2A

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 3/4885ADRB1 2/4885CTDSP1 4853/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885ADRB1 1/4885CTDSP1 4839/4885

“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.