SCHEMBL13617623

SCHEMBL13617623

CCCCOc1ccc([C@@H](O)CNCCc2ccc(Nc3ccc(OCC)cc3)cc2)c2ccc(=O)[nH]c12

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.78
ADRB1 P08588 17/20 0.69
ADRB3 P13945 15/20 0.69
CHRM2 P08172 1/20 0.64
DRD3 P35462 3/20 0.56
DRD2 P14416 2/20 0.56
DRD1 P21728 2/20 0.56
DRD4 P21917 2/20 0.56

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
SCHEMBL13708418 0.89 ADRB2 (0.75) ADRB2ADRB1ADRB3CHRM2DRD3
SCHEMBL13617404 0.88 ADRB2 (0.61) ADRB2ADRB1ADRB3CHRM2DRD3
SCHEMBL13711797 0.88 ADRB2 (0.62) ADRB2ADRB1ADRB3CHRM2DRD3
SCHEMBL3842091 0.88 ADRB2 (1.00) ADRB2ADRB1ADRB3CHRM2
SCHEMBL3840480 0.88 ADRB2 (1.00) ADRB2ADRB1ADRB3CHRM2
SCHEMBL13617485 0.88 ADRB2 (0.59) ADRB2ADRB1ADRB3CHRM2DRD3
SCHEMBL13589488 0.86 ADRB2 (0.80) ADRB2ADRB1ADRB3CHRM2DRD3
SCHEMBL13617396 0.83 ADRB2 (0.55) ADRB2ADRB1ADRB3CHRM2DRD3
SCHEMBL13711791 0.83 ADRB2 (0.69) ADRB2ADRB1ADRB3CHRM2DRD3
SCHEMBL13617660 0.82 ADRB2 (0.54) ADRB2ADRB1ADRB3CHRM2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641465-B1 COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID THERAVANCE INC (US) 2009-11-04 EP disclosed
US-7553971-B2 Aryl aniline β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2009-06-30 US disclosed
EP-1446379-B1 ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE INC (US) 2009-04-29 EP disclosed
US-7452995-B2 Aryl aniline β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2008-11-18 US disclosed
US-20070225329-A1 Aryl aniline beta2 adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2007-09-27 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-20070225329-A1 Aryl aniline beta2 adrenergic receptor agonists ADRB2, ADRB3, ADRB1 ADRB2 1/4885ADRB1 3/4885ADRB3 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.