SCHEMBL3281197

SCHEMBL3281197

CCN(CC)c1cc(-c2nc(-c3ccc(CCNCC(=O)O)cc3)no2)cc(C)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.44
S1PR3 Q99500 5/20 0.44
S1PR5 Q9H228 6/20 0.39
S1PR4 O95977 3/20 0.39
FFAR1 O14842 2/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MCHR1 Q99705 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3279577 0.90 S1PR1 (0.45) S1PR1S1PR3S1PR5S1PR4NPC1
SCHEMBL3276319 0.87 S1PR1 (0.44) S1PR1S1PR3S1PR5S1PR4NPC1
SCHEMBL3280060 0.85 S1PR1 (0.47) S1PR1S1PR3S1PR5S1PR4NPC1
SCHEMBL3277417 0.83 S1PR1 (0.55) S1PR1S1PR3S1PR5S1PR4NPC1
SCHEMBL3277047 0.82 S1PR1 (0.51) S1PR1S1PR3
SCHEMBL3275729 0.81 S1PR1 (0.44) S1PR1S1PR3S1PR5S1PR4NPC1
SCHEMBL3282469 0.81 S1PR1 (0.53) S1PR1S1PR3NPC1MAPTRAB9A
SCHEMBL13384705 0.80 RAB9A (0.54) S1PR1S1PR3NPC1MAPTRAB9A
SCHEMBL13384700 0.78 NPC1 (0.51) S1PR1S1PR3NPC1MAPTRAB9A
SCHEMBL3277081 0.74 S1PR1 (0.55) S1PR1S1PR3S1PR5

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
EP-2125797-B1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-01-15 EP disclosed
US-8592460-B2 Amino-pyridine derivatives as S1P1 /EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-26 US disclosed
US-20100087417-A1 AMINO-PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-04-08 US disclosed
EP-2125797-A1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 EP disclosed
WO-2008114157-A1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-09-25 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-20100087417-A1 AMINO-PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR4 S1PR1 1/4885S1PR3 2/4885S1PR5 4/4885

“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.