SCHEMBL296295

SCHEMBL296295

CCOc1ccc(CCOc2c(Cl)cc(CCC(C)(N)CO)cc2OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.41
S1PR1 P21453 6/20 0.39
S1PR4 O95977 5/20 0.39
S1PR3 Q99500 5/20 0.39
S1PR5 Q9H228 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 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
SCHEMBL296294 1.00 SMN1; SMN2 (0.44) SMN1; SMN2NPC1S1PR1S1PR4S1PR3
SCHEMBL296377 0.86 S1PR1 (0.56) S1PR1S1PR4S1PR3S1PR5
SCHEMBL293675 0.86 SMN1; SMN2 (0.41) SMN1; SMN2S1PR1S1PR3LMNAKMT2A
SCHEMBL293676 0.86 SMN1; SMN2 (0.41) SMN1; SMN2S1PR1S1PR3LMNAKMT2A
SCHEMBL295021 0.83 S1PR1 (0.48) SMN1; SMN2NPC1S1PR1S1PR4S1PR3
SCHEMBL295020 0.83 S1PR1 (0.48) SMN1; SMN2NPC1S1PR1S1PR4S1PR3
SCHEMBL295723 0.79 SMN1; SMN2 (0.40) SMN1; SMN2NPC1S1PR1S1PR3LMNA
SCHEMBL295722 0.79 SMN1; SMN2 (0.40) SMN1; SMN2NPC1S1PR1S1PR3LMNA
SCHEMBL13990376 0.79 S1PR1 (0.51) S1PR1S1PR4S1PR3S1PR5TDP1
Hydrochloric Acid SCHEMBL296349 0.78 SMN1; SMN2 (0.39) SMN1; SMN2NPC1S1PR1S1PR3TDP1

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 6 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-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 SMN1; SMN2 2873/4885NPC1 1423/4885S1PR1 1/4885

“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.