SCHEMBL4819799

SCHEMBL4819799

COc1cc(CCO)ccc1OCCCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.61
DRD2 P14416 1/20 0.61
DRD1 P21728 1/20 0.61
DRD4 P21917 1/20 0.61
DRD3 P35462 1/20 0.61
PDE4A P27815 2/20 0.54
PDE4B Q07343 2/20 0.54
PDE4C Q08493 2/20 0.54
PDE4D Q08499 2/20 0.54
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53

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
SCHEMBL9713370 0.90 ADRB2 (0.59) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL4812224 0.87 ADRB2 (0.59) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL7988695 0.85 KDM4E (0.60) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL9713100 0.84 TTR (0.58) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL1322956 0.84 KDM4E (0.64) MTNR1AMTNR1B
SCHEMBL10526510 0.83 EBP (0.68)
SCHEMBL3511041 0.83 ADRB2 (0.53) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL3510320 0.83 ADRB2 (0.53) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL12124783 0.82 HDAC1 (0.53)
SCHEMBL458350 0.82 KCNH2 (0.50) ADRB2DRD2DRD1DRD4DRD3

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-7326801-B2 2-amino-propanol derivatives NOVARTIS AG (CH) 2008-02-05 US disclosed
EP-1377593-B1 2-AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2005-12-28 EP disclosed
US-20040147490-A1 2-Amino-propanol derivatives ALBERT RAINER (CH) 2004-07-29 US disclosed
EP-1377593-A2 2-AMINO-PROPANOL DERIVATIVES Novartis AG (CH) 2004-01-07 EP disclosed
WO-2002076995-A2 2-AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2002-10-03 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 (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-20040147490-A1 2-Amino-propanol derivatives CD4, HLA-DRB1, CCR1 ADRB2 4/4885DRD2 150/4885DRD1 197/4885

“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.