SCHEMBL7142391

SCHEMBL7142391

O=C(CCNC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1)N1CCOCC1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.73
ADRB1 P08588 16/20 0.73
ADRB2 P07550 3/20 0.69
LMNA P02545 2/20 0.64
NFKB1 P19838 1/20 0.64
HIF1A Q16665 1/20 0.64
HSD17B10 Q99714 1/20 0.64
NR1I2 O75469 1/20 0.64
PTGS2 P35354 1/20 0.64
MEN1 O00255 1/20 0.59
MAPT P10636 1/20 0.59
BLM P54132 1/20 0.59
KMT2A Q03164 1/20 0.59

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
SCHEMBL7092261 0.86 ADRB3 (0.57) ADRB3ADRB1ADRB2LMNANFKB1
SCHEMBL7092794 0.86 ADRB3 (0.85) ADRB3ADRB1ADRB2
SCHEMBL7701777 0.86 ADRB3 (0.85) ADRB3ADRB1ADRB2
SCHEMBL7145977 0.85 ADRB3 (0.81) ADRB3ADRB1ADRB2LMNANFKB1
SCHEMBL7178964 0.85 ADRB3 (0.79) ADRB3ADRB1ADRB2LMNANFKB1
SCHEMBL7164357 0.85 ADRB3 (0.85) ADRB3ADRB1ADRB2LMNANFKB1
SCHEMBL7096112 0.85 ADRB3 (0.85) ADRB3ADRB1ADRB2LMNANFKB1
SCHEMBL7094547 0.85 ADRB3 (1.00) ADRB3ADRB1ADRB2MEN1MAPT
SCHEMBL5166476 0.84 ADRB3 (0.81) ADRB3ADRB1ADRB2
SCHEMBL7094593 0.84 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 2 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

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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 ADRB3 3/4885ADRB1 2/4885ADRB2 1/4885

“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.