SCHEMBL7096112

SCHEMBL7096112

O=C(NCCCCCCCCF)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1

nearest known ligand 0.85

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.85
ADRB1 P08588 17/20 0.85
ADRB2 P07550 3/20 0.73
LMNA P02545 1/20 0.54
NFKB1 P19838 1/20 0.54
HIF1A Q16665 1/20 0.54
HSD17B10 Q99714 1/20 0.54
NR1I2 O75469 1/20 0.54
PTGS2 P35354 1/20 0.54

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
SCHEMBL7164357 1.00 ADRB3 (0.85) ADRB3ADRB1ADRB2LMNANFKB1
SCHEMBL7094547 0.92 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL7701777 0.89 ADRB3 (0.85) ADRB3ADRB1ADRB2
SCHEMBL7092794 0.89 ADRB3 (0.85) ADRB3ADRB1ADRB2
SCHEMBL7140942 0.88 ADRB3 (0.98) ADRB3ADRB1ADRB2LMNANFKB1
SCHEMBL7145977 0.88 ADRB3 (0.81) ADRB3ADRB1ADRB2LMNANFKB1
SCHEMBL7096881 0.88 ADRB3 (0.91) ADRB3ADRB1ADRB2
SCHEMBL7587081 0.88 ADRB3 (0.91) ADRB3ADRB1ADRB2
SCHEMBL7091566 0.87 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL7094593 0.87 ADRB3 (1.00) ADRB3ADRB1ADRB2

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

“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.