SCHEMBL295020

SCHEMBL295020

CCCCCOc1c(Cl)cc(CC[C@@](C)(N)CO)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.48
S1PR3 Q99500 6/20 0.48
S1PR2 O95136 1/20 0.48
LPAR2 Q9HBW0 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
S1PR4 O95977 5/20 0.40
S1PR5 Q9H228 4/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.38

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
SCHEMBL295021 1.00 S1PR1 (0.48) S1PR1S1PR3S1PR2LPAR2SMN1; SMN2
SCHEMBL294682 0.91 SMN1; SMN2 (0.46) S1PR1S1PR3S1PR2LPAR2SMN1; SMN2
SCHEMBL294681 0.91 SMN1; SMN2 (0.46) S1PR1S1PR3S1PR2LPAR2SMN1; SMN2
SCHEMBL295723 0.87 SMN1; SMN2 (0.40) S1PR1S1PR3S1PR2LPAR2SMN1; SMN2
SCHEMBL295722 0.87 SMN1; SMN2 (0.40) S1PR1S1PR3S1PR2LPAR2SMN1; SMN2
Hydrochloric Acid SCHEMBL296348 0.86 SMN1; SMN2 (0.39) S1PR1S1PR3S1PR2LPAR2SMN1; SMN2
Hydrochloric Acid SCHEMBL296349 0.86 SMN1; SMN2 (0.39) S1PR1S1PR3S1PR2LPAR2SMN1; SMN2
SCHEMBL294540 0.85 SMN1; SMN2 (0.42) S1PR1S1PR3S1PR2LPAR2SMN1; SMN2
SCHEMBL294539 0.85 SMN1; SMN2 (0.42) S1PR1S1PR3S1PR2LPAR2SMN1; SMN2
Hydrochloric Acid SCHEMBL296215 0.84 SMN1; SMN2 (0.41) S1PR1S1PR3S1PR2LPAR2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636171-B1 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS NOVARTIS AG (CH) 2012-03-14 EP claimed
EP-1636171-B1 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-7696184-B2 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator NOVARTIS AG (CH) 2010-04-13 US disclosed
US-7696184-B2 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator NOVARTIS AG (CH) 2010-04-13 US disclosed
US-7696184-B2 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator NOVARTIS AG (CH) 2010-04-13 US disclosed
US-20070010494-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator NOVARTIS AG (CH) 2007-01-11 US disclosed
US-20070010494-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator NOVARTIS AG (CH) 2007-01-11 US disclosed
US-20070010494-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator NOVARTIS AG (CH) 2007-01-11 US disclosed
EP-1636171-A2 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATOR Novartis AG (CH) 2006-03-22 EP disclosed
WO-2004110979-A2 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATOR NOVARTIS AG (CH) 2004-12-23 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-20070010494-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885S1PR2 3/4885

“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.