SCHEMBL3736330

SCHEMBL3736330

CC(C)(C)OC(=O)N[C@@](C)(CO)CCc1ccc2oc(-c3ccccc3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.47
S1PR1 P21453 5/20 0.46
S1PR3 Q99500 4/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CETP P11597 2/20 0.45
MAPK1 P28482 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
HPSE Q9Y251 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 1/20 0.43
PDE10A Q9Y233 1/20 0.42

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
SCHEMBL3736265 0.98 S1PR1 (0.47) KDRS1PR1S1PR3KDM4ENPC1
SCHEMBL6048297 0.93 CETP (0.44) KDRS1PR1S1PR3KDM4ENPC1
SCHEMBL3734221 0.93 CETP (0.44) KDRS1PR1S1PR3KDM4ENPC1
SCHEMBL3733297 0.91 S1PR1 (0.43) KDRS1PR1S1PR3KDM4ENPC1
SCHEMBL3730952 0.88 MAPT (0.52) S1PR1S1PR3KDM4ENPC1ALDH1A1
SCHEMBL3742292 0.87 S1PR1 (0.42) S1PR1S1PR3KDM4ENPC1ALDH1A1
SCHEMBL3741781 0.87 P2RY14 (0.45) KDRKDM4ENPC1ALDH1A1POLB
SCHEMBL3736160 0.86 NPC1 (0.45) S1PR1S1PR3KDM4ENPC1ALDH1A1
SCHEMBL11946841 0.86 S1PR1 (0.49) KDRS1PR1S1PR3KDM4ENPC1
SCHEMBL3738579 0.86 SLC2A1 (0.47) NPC1POLBRAB9ASMN1; SMN2CETP

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-1622866-B1 AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS NOVARTIS AG (CH) 2012-07-25 EP disclosed
US-7825260-B2 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators NOVARTIS AG (CH) 2010-11-02 US disclosed
US-20060211656-A1 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators NOVARTIS AG (CH) 2006-09-21 US disclosed
EP-1622866-A1 AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS Novartis AG (CH) 2006-02-08 EP disclosed
WO-2004096757-A1 AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS NOVARTIS AG (CH) 2004-11-11 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-20060211656-A1 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators S1PR1, S1PR3, S1PR2 KDR 431/4885S1PR1 1/4885S1PR3 2/4885

“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.