SCHEMBL7095375

SCHEMBL7095375

O=C(O)NCCc1ccc(NC2CCN(C(=O)NCCc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
MEN1 O00255 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ADRB3 P13945 4/20 0.55
ADRB1 P08588 3/20 0.55
MLNR O43193 4/20 0.51
TPSAB1 Q15661 1/20 0.50
TPSD1 Q9BZJ3 1/20 0.50
TPSG1 Q9NRR2 1/20 0.50
MAPK1 P28482 1/20 0.48
CACNA1F O60840 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
DRD2 P14416 1/20 0.48
TACR2 P21452 1/20 0.48
DRD1 P21728 1/20 0.48
DRD5 P21918 1/20 0.48
HRH2 P25021 1/20 0.48
ADRA1D P25100 1/20 0.48
TACR1 P25103 1/20 0.48
HTR2A P28223 1/20 0.48

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
SCHEMBL7091498 0.95 ADRB1 (0.62) KMT2AMEN1SMN1; SMN2ADRB3ADRB1
SCHEMBL7092873 0.90 ADRB3 (0.49) KMT2AMEN1SMN1; SMN2ADRB3ADRB1
SCHEMBL7091403 0.89 ADRB3 (0.51) KMT2AMEN1SMN1; SMN2ADRB3ADRB1
SCHEMBL7092013 0.88 ADRB3 (0.53) KMT2AMEN1SMN1; SMN2ADRB3ADRB1
SCHEMBL7090703 0.88 ADRB3 (0.51) KMT2AMEN1SMN1; SMN2ADRB3ADRB1
SCHEMBL7095565 0.87 ADRB3 (0.50) KMT2AMEN1ADRB3ADRB1MLNR
Formic Acid SCHEMBL7095380 0.87 TPSAB1 (0.57) KMT2AMEN1SMN1; SMN2ADRB3ADRB1
SCHEMBL7096321 0.87 ADRB3 (0.65) KMT2AMEN1SMN1; SMN2ADRB3ADRB1
SCHEMBL7092134 0.87 ADRB3 (0.65) KMT2AMEN1SMN1; SMN2ADRB3ADRB1
SCHEMBL7096329 0.87 JAK1 (0.48) KMT2AMEN1SMN1; SMN2ADRB3ADRB1

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 KMT2A 3613/4885MEN1 2931/4885SMN1; SMN2 3162/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 KMT2A 4020/4885MEN1 2107/4885SMN1; SMN2 2712/4885

“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.