SCHEMBL4809864

SCHEMBL4809864

CC(N)(CO)CCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.57
EPHX2 P34913 1/20 0.57
FFAR1 O14842 1/20 0.52
FFAR4 Q5NUL3 1/20 0.52
MAOB P27338 2/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
MAOA P21397 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL29802236 1.00 LTA4H (0.57) LTA4HEPHX2FFAR1FFAR4MAOB
SCHEMBL4809858 1.00 LTA4H (0.57) LTA4HEPHX2FFAR1FFAR4MAOB
SCHEMBL4816406 0.89 RXRA (0.49) LTA4HEPHX2S1PR4S1PR1S1PR3
SCHEMBL4816402 0.89 RXRA (0.49) LTA4HEPHX2S1PR4S1PR1S1PR3
SCHEMBL3509446 0.87 S1PR1 (0.55) LTA4HEPHX2FFAR1S1PR4S1PR1
SCHEMBL3510090 0.87 S1PR1 (0.55) LTA4HEPHX2FFAR1S1PR4S1PR1
SCHEMBL14539807 0.86 S1PR1 (0.57) LTA4HEPHX2FFAR1S1PR4S1PR1
SCHEMBL1912503 0.86 S1PR1 (0.56) FFAR1S1PR4S1PR1S1PR3S1PR5
SCHEMBL6036008 0.86 S1PR1 (0.56) FFAR1S1PR4S1PR1S1PR3S1PR5
SCHEMBL1497957 0.85 LTA4H (0.60) LTA4HEPHX2FFAR1FFAR4MAOB

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 LTA4H 2484/4885EPHX2 2474/4885FFAR1 255/4885

“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.