SCHEMBL4890724

SCHEMBL4890724

O=c1ccc2c([C@@H](O)CNCCCCCCOCCc3ccccc3)ccc(OCc3ccccc3)c2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.61
ADRB1 P08588 14/20 0.61
DRD2 P14416 3/20 0.55
DRD1 P21728 2/20 0.55
DRD4 P21917 2/20 0.55
DRD3 P35462 2/20 0.55

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
SCHEMBL4895143 0.91 ADRB2 (0.66) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL3885367 0.91 ADRB2 (0.57) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL21573583 0.88 ADRB2 (0.64) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL244696 0.88 ADRB2 (0.80) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL4889160 0.88 ADRB2 (0.80) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL244647 0.87 ADRB2 (0.77) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL2004900 0.87 ADRB2 (0.77) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL5120383 0.85 ADRB2 (0.65) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL4894373 0.84 ADRB2 (0.45) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL5127959 0.84 ADRB2 (0.87) ADRB2ADRB1DRD2DRD1DRD4

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
US-7402673-B2 Diamine β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2008-07-22 US disclosed
US-20080039495-A1 Diamine Beta2 Adrenergic Receptor Agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-02-14 US disclosed
EP-1751086-A2 DIAMINE ß2 ADRENERGIC RECEPTOR AGONISTS Theravance, Inc. (US) 2007-02-14 EP disclosed
WO-2005121065-A2 DIAMINE β2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE, INC. (US) 2005-12-22 WO disclosed
US-20050272769-A1 Diamine beta2 adrenergic receptor agonists THERAVANCE, INC. (US) 2005-12-08 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 (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-20050272769-A1 Diamine beta2 adrenergic receptor agonists ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB1 2/4885DRD2 53/4885
US-20080039495-A1 Diamine Beta2 Adrenergic Receptor Agonists ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB1 2/4885DRD2 53/4885

“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.