SCHEMBL4809833

SCHEMBL4809833

CC[C@@](N)(CCc1ccc(OCCCCc2ccccc2)c(OC)c1)COP(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.53
S1PR3 Q99500 14/20 0.53
S1PR4 O95977 4/20 0.53
S1PR5 Q9H228 4/20 0.53
S1PR2 O95136 2/20 0.53
ADRB2 P07550 1/20 0.46
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 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
SCHEMBL4816712 0.89 S1PR1 (0.57) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL4814719 0.89 S1PR1 (0.57) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL4816785 0.86 S1PR1 (0.51) S1PR1S1PR3S1PR4S1PR5ADRB2
SCHEMBL4816756 0.86 S1PR1 (0.51) S1PR1S1PR3S1PR4S1PR5ADRB2
SCHEMBL4817934 0.80 S1PR1 (0.45) S1PR1S1PR3S1PR4S1PR5ADRB2
SCHEMBL86676 0.79 S1PR1 (0.59) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL17733489 0.79 S1PR1 (0.59) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL6528055 0.79 S1PR1 (0.74) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL86686 0.79 S1PR1 (0.56) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL86567 0.79 S1PR1 (0.61) S1PR1S1PR3S1PR4S1PR5S1PR2

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 7 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
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 525/4885S1PR3 493/4885S1PR4 1260/4885

“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.