SCHEMBL7570058

SCHEMBL7570058

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

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 17/20 0.70
ADRB3 P13945 17/20 0.70
ADRB2 P07550 6/20 0.65
LMNA P02545 2/20 0.51
NFKB1 P19838 1/20 0.51
HIF1A Q16665 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NR1I2 O75469 1/20 0.51
PTGS2 P35354 1/20 0.51
CYP1A2 P05177 1/20 0.50
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL7095903 0.91 ADRB3 (0.85) ADRB1ADRB3ADRB2
SCHEMBL7091464 0.91 ADRB3 (0.85) ADRB1ADRB3ADRB2
SCHEMBL7091439 0.85 ADRB3 (0.85) ADRB1ADRB3ADRB2LMNANFKB1
SCHEMBL7092872 0.84 ADRB3 (0.88) ADRB1ADRB3ADRB2LMNANFKB1
SCHEMBL7599668 0.84 ADRB3 (0.88) ADRB1ADRB3ADRB2LMNANFKB1
SCHEMBL7096869 0.82 ADRB3 (1.00) ADRB1ADRB3ADRB2
SCHEMBL7570013 0.82 ADRB3 (0.76) ADRB1ADRB3ADRB2
SCHEMBL7094681 0.82 ADRB3 (0.79) ADRB1ADRB3ADRB2
SCHEMBL7094593 0.81 ADRB3 (1.00) ADRB1ADRB3ADRB2
SCHEMBL7699697 0.81 ADRB3 (1.00) ADRB1ADRB3ADRB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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