SCHEMBL7091587

SCHEMBL7091587

O=C(O)NCCc1ccc(NC2CCN(C(=O)NCc3ccc(-n4cccn4)cc3C(F)(F)F)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.42
ADRB1 P08588 9/20 0.42
EPHX2 P34913 1/20 0.39
ADRB2 P07550 1/20 0.38
SYK P43405 2/20 0.37
CXCR4 P61073 1/20 0.36
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SCD O00767 1/20 0.34

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
Formic Acid SCHEMBL7094710 0.89 ADRB3 (0.41) ADRB3ADRB1EPHX2ADRB2SYK
SCHEMBL7094708 0.83 ADRB3 (0.67) ADRB3ADRB1ADRB2
SCHEMBL7597276 0.83 ADRB3 (0.67) ADRB3ADRB1ADRB2
SCHEMBL7095801 0.83 ADRB3 (0.51) ADRB3ADRB1EPHX2ADRB2
SCHEMBL7096121 0.83 ADRB3 (0.51) ADRB3ADRB1EPHX2ADRB2TDP1
SCHEMBL7096008 0.80 ADRB3 (0.55) ADRB3ADRB1ADRB2
SCHEMBL7096321 0.76 ADRB3 (0.65) ADRB3ADRB1EPHX2ADRB2
SCHEMBL7096323 0.75 ADRB1 (0.64) ADRB3ADRB1ADRB2
SCHEMBL7091498 0.75 ADRB1 (0.62) ADRB3ADRB1ADRB2
SCHEMBL7096329 0.74 JAK1 (0.48) ADRB3ADRB1

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 ADRB3 3/4885ADRB1 2/4885EPHX2 1109/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885ADRB1 1/4885EPHX2 1674/4885

“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.