SCHEMBL5166476

SCHEMBL5166476

NC(=O)CCCCCCCC(=O)N1CCC(Nc2ccc(CCNCC(O)COc3ccc(O)cc3)cc2)CC1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.81
ADRB1 P08588 18/20 0.81
ADRB2 P07550 6/20 0.70

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
SCHEMBL7096110 0.93 ADRB3 (0.81) ADRB3ADRB1ADRB2
SCHEMBL7096869 0.90 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL7091464 0.87 ADRB3 (0.85) ADRB3ADRB1ADRB2
SCHEMBL7095903 0.87 ADRB3 (0.85) ADRB3ADRB1ADRB2
SCHEMBL7094593 0.85 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL7699697 0.85 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL7142391 0.84 ADRB3 (0.73) ADRB3ADRB1ADRB2
SCHEMBL7094681 0.84 ADRB3 (0.79) ADRB3ADRB1ADRB2
SCHEMBL7701777 0.83 ADRB3 (0.85) ADRB3ADRB1ADRB2
SCHEMBL7092794 0.83 ADRB3 (0.85) 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
WO-2007036543-A1 BETA-3-AGONIST USE FOR TREATING KIDNEY AND BLADDER TROUBLES OF A PATIENT WITH SPINAL CORD DAMAGES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-05 WO disclosed
US-20070078181-A1 Use of a beta-3-agonist for the treatment of patients with spinal cord injury and suffering from renal and bladder complaints MICHEL MARTIN C 2007-04-05 US disclosed
EP-1769792-A1 Use of a beta-3 adrenoceptor agonist for the treatment of renal and bladder problems Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2007-04-04 EP disclosed
US-20060084700-A1 Use of a beta-3 agonist for the treatment of disorders of the prostate and of the lower urogenital tract BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-04-20 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-20060084700-A1 Use of a beta-3 agonist for the treatment of disorders of the prostate and of the lower urogenital tract ADRB3, ADRB2, ADRB1 ADRB3 1/4885ADRB1 3/4885ADRB2 2/4885
US-20070078181-A1 Use of a beta-3-agonist for the treatment of patients with spinal cord injury and suffering from renal and bladder complaints ADRB3, ADRB2, ADRB1 ADRB3 1/4885ADRB1 3/4885ADRB2 2/4885

“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.