SCHEMBL6141541

SCHEMBL6141541

O=CNc1cc([C@@H](O)CNCCc2ccc(OC[C@H](O)c3ccccc3)cc2)ccc1O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.81
ADRB3 P13945 8/20 0.74
ADRB1 P08588 6/20 0.74
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
DRD2 P14416 2/20 0.52
PGR P06401 1/20 0.52
SLC6A4 P31645 1/20 0.52
ADRA1A P35348 1/20 0.52
PTGS2 P35354 1/20 0.52
SLC6A3 Q01959 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
DRD3 P35462 1/20 0.52

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
SCHEMBL6695262 1.00 ADRB2 (0.81) ADRB2ADRB3ADRB1KDM4EGAA
SCHEMBL6695265 1.00 ADRB2 (0.81) ADRB2ADRB3ADRB1KDM4EGAA
SCHEMBL6691687 0.87 ADRB2 (0.70) ADRB2ADRB3ADRB1DRD2PGR
SCHEMBL6141170 0.87 ADRB2 (0.70) ADRB2ADRB3ADRB1DRD2PGR
SCHEMBL6691677 0.87 ADRB2 (0.70) ADRB2ADRB3ADRB1DRD2PGR
Milveterol SCHEMBL185356 0.85 ADRB2 (1.00) ADRB2ADRB3ADRB1
Milveterol SCHEMBL29448200 0.85 ADRB2 (1.00) ADRB2ADRB3ADRB1
Milveterol SCHEMBL168972 0.85 ADRB2 (1.00) ADRB2ADRB3ADRB1
Milveterol SCHEMBL4385046 0.85 ADRB2 (1.00) ADRB2ADRB3ADRB1
Milveterol SCHEMBL265694 0.85 ADRB2 (1.00) ADRB2ADRB3ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1507754-A1 ALKOXY ARYL BETA-2 ADRENERGIC RECEPTOR AGONISTS Theravance, Inc. (US) 2005-02-23 EP claimed
US-6747043-B2 TREATING PULMONARY DISEASE, PRE-TERM LABOR, NEUROLOGICAL DISORDERS, CARDIAC DISORDERS, AND INFLAMMATION THERAVANCE, INC. 2004-06-08 US claimed
US-20040006102-A1 Alkoxy aryl beta2 adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2004-01-08 US claimed
WO-2003099764-A1 ALKOXY ARYL β2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE, INC. (US) 2003-12-04 WO claimed
US-6747043-B2 TREATING PULMONARY DISEASE, PRE-TERM LABOR, NEUROLOGICAL DISORDERS, CARDIAC DISORDERS, AND INFLAMMATION THERAVANCE, INC. 2004-06-08 US disclosed
US-20040006102-A1 Alkoxy aryl beta2 adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2004-01-08 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-20040006102-A1 Alkoxy aryl beta2 adrenergic receptor agonists ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB3 5/4885ADRB1 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.