SCHEMBL4816756

SCHEMBL4816756

CC[C@](N)(CO)CCc1ccc(OCCCCc2ccccc2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.51
ADRB2 P07550 1/20 0.51
DRD2 P14416 1/20 0.51
DRD1 P21728 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
PDE4A P27815 2/20 0.49
PDE4B Q07343 2/20 0.49
PDE4C Q08493 2/20 0.49
PDE4D Q08499 2/20 0.49
SPHK2 Q9NRA0 2/20 0.47
SPHK1 Q9NYA1 1/20 0.47
TNNC1 P63316 5/20 0.47
SGPL1 O95470 1/20 0.47
S1PR4 O95977 1/20 0.47
GPR183 P32249 1/20 0.47
CERS2 Q96G23 1/20 0.47
S1PR3 Q99500 1/20 0.47
S1PR5 Q9H228 1/20 0.47

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
SCHEMBL4816785 1.00 S1PR1 (0.51) S1PR1ADRB2DRD2DRD1DRD4
SCHEMBL3511041 0.87 ADRB2 (0.53) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL3510320 0.87 ADRB2 (0.53) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL4809833 0.86 S1PR1 (0.53) S1PR1ADRB2DRD2DRD1DRD4
SCHEMBL14294203 0.86 ADRB2 (0.52) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL8511452 0.85 S1PR1 (0.51) S1PR1SPHK2SPHK1TNNC1SGPL1
SCHEMBL8511446 0.85 S1PR1 (0.51) S1PR1SPHK2SPHK1TNNC1SGPL1
SCHEMBL8514244 0.84 S1PR1 (0.53) S1PR1SPHK2SPHK1TNNC1SGPL1
SCHEMBL8513906 0.84 S1PR1 (0.53) S1PR1SPHK2SPHK1TNNC1SGPL1
SCHEMBL8513899 0.84 S1PR1 (0.53) S1PR1SPHK2SPHK1TNNC1SGPL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4012823-B2 2007-11-21 JP claimed
EP-1377593-B1 2-AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2005-12-28 EP claimed
JP-2004531501-A 2004-10-14 JP claimed
US-20040147490-A1 2-Amino-propanol derivatives ALBERT RAINER (CH) 2004-07-29 US claimed
EP-1377593-A2 2-AMINO-PROPANOL DERIVATIVES Novartis AG (CH) 2004-01-07 EP claimed
WO-2002076995-A2 2-AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2002-10-03 WO claimed
US-7326801-B2 2-amino-propanol derivatives NOVARTIS AG (CH) 2008-02-05 US disclosed
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 S1PR1 525/4885ADRB2 4/4885DRD2 150/4885

“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.