SCHEMBL1626412

SCHEMBL1626412

CCCCCCCOc1ccc(CC[C@](C)(N)[C@@H](C)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.62
S1PR4 O95977 9/20 0.62
S1PR3 Q99500 9/20 0.62
S1PR5 Q9H228 8/20 0.62
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLCO1B3 Q9NPD5 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48
NR5A1 Q13285 1/20 0.48
S1PR2 O95136 1/20 0.47
TNNC1 P63316 4/20 0.46
SGPL1 O95470 1/20 0.46
GPR183 P32249 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
SCHEMBL1624918 1.00 S1PR1 (0.62) S1PR1S1PR4S1PR3S1PR5MEN1
SCHEMBL1626974 1.00 S1PR1 (0.62) S1PR1S1PR4S1PR3S1PR5MEN1
SCHEMBL13844525 1.00 S1PR1 (0.62) S1PR1S1PR4S1PR3S1PR5MEN1
SCHEMBL1626931 1.00 S1PR1 (0.62) S1PR1S1PR4S1PR3S1PR5MEN1
SCHEMBL6021227 0.91 S1PR1 (0.64) S1PR1S1PR4S1PR3S1PR5MEN1
SCHEMBL14246873 0.91 S1PR1 (0.64) S1PR1S1PR4S1PR3S1PR5MEN1
SCHEMBL14246795 0.91 S1PR1 (0.64) S1PR1S1PR4S1PR3S1PR5MEN1
SCHEMBL1626653 0.88 S1PR1 (0.61) S1PR1S1PR4S1PR3S1PR5MEN1
SCHEMBL1626883 0.88 S1PR1 (0.61) S1PR1S1PR4S1PR3S1PR5MEN1
SCHEMBL1625887 0.88 S1PR1 (0.49) S1PR1S1PR4S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753712-B1 AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2009-05-13 EP claimed
US-20070225260-A1 Amino-Propanol Derivatives NOVARTIS AG (CH) 2007-09-27 US claimed
EP-1753712-A1 AMINO-PROPANOL DERIVATIVES Novartis AG (CH) 2007-02-21 EP claimed
WO-2005118523-A1 AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2005-12-15 WO claimed
US-7928093-B2 Amino-propanol derivatives NOVARTIS AG (CH) 2011-04-19 US disclosed
US-7928093-B2 Amino-propanol derivatives NOVARTIS AG (CH) 2011-04-19 US disclosed
US-7928093-B2 Amino-propanol derivatives NOVARTIS AG (CH) 2011-04-19 US disclosed
EP-1753712-B1 AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2009-05-13 EP disclosed
EP-1753712-B1 AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2009-05-13 EP disclosed
WO-2009056993-A2 A PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-07 WO disclosed
US-20070225260-A1 Amino-Propanol Derivatives NOVARTIS AG (CH) 2007-09-27 US disclosed
US-20070225260-A1 Amino-Propanol Derivatives NOVARTIS AG (CH) 2007-09-27 US disclosed
US-20070225260-A1 Amino-Propanol Derivatives NOVARTIS AG (CH) 2007-09-27 US disclosed
EP-1753712-A1 AMINO-PROPANOL DERIVATIVES Novartis AG (CH) 2007-02-21 EP disclosed
WO-2005118523-A1 AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2005-12-15 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-20070225260-A1 Amino-Propanol Derivatives ADRB1, ADRB3, ARG1 S1PR1 1545/4885S1PR4 2354/4885S1PR3 877/4885

“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.