SCHEMBL1246145

SCHEMBL1246145

O=C1COc2c(CCO)ccc(O)c2N1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.51
DRD3 P35462 6/20 0.51
DRD4 P21917 5/20 0.51
ADRB1 P08588 10/20 0.48
ADRB2 P07550 6/20 0.47
SMYD2 Q9NRG4 4/20 0.46
HTR2A P28223 1/20 0.46
DRD1 P21728 1/20 0.46

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
SCHEMBL1246294 0.87 DRD2 (0.59) DRD2DRD3DRD4ADRB1ADRB2
SCHEMBL13437595 0.87 DRD2 (0.56) DRD2DRD3DRD4ADRB1ADRB2
Hydrochloric Acid SCHEMBL1244917 0.86 DRD2 (0.58) DRD2DRD3DRD4ADRB1ADRB2
SCHEMBL12119317 0.85 DRD2 (0.56) DRD2DRD3DRD4ADRB1ADRB2
SCHEMBL9909663 0.83 ADRB1 (0.52) DRD2DRD3DRD4ADRB1ADRB2
Acetic Acid SCHEMBL28545033 0.81 DRD2 (0.53) DRD2DRD3DRD4ADRB1ADRB2
Hydrochloric Acid SCHEMBL4022568 0.79 ADRB1 (0.55) DRD2DRD3DRD4ADRB1ADRB2
SCHEMBL9909524 0.75 DRD2 (0.58) DRD2DRD3DRD4ADRB1ADRB2
SCHEMBL15643174 0.72 ADRB2 (0.49) ADRB1ADRB2SMYD2
SCHEMBL10215347 0.72 ADRB1 (0.65) DRD2DRD3DRD4ADRB1ADRB2

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
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
EP-2459572-A2 SPIROCYCLIC AMIDE DERIVATIVES AstraZeneca AB (SE) 2012-06-06 EP disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 WO 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-20130018037-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 DRD2 139/4885DRD3 268/4885DRD4 447/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 DRD2 139/4885DRD3 268/4885DRD4 447/4885

“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.