SCHEMBL12373440

SCHEMBL12373440

CCOC(=O)c1nn(C)c(C)c1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 4/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 7/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MAPT P10636 3/20 0.41
USP2 O75604 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
TP53 P04637 1/20 0.38
ALOX12 P18054 1/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ELANE P08246 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
SCHEMBL27268660 0.87 USP2 (0.40) SMN1; SMN2ALDH1A1NPSR1MAPTUSP2
SCHEMBL3603478 0.84 SMN1; SMN2 (0.43) SMN1; SMN2LMNAKDM4EALDH1A1NPSR1
SCHEMBL16572400 0.83 L3MBTL1 (0.42) SMN1; SMN2LMNAKDM4EALDH1A1NPSR1
SCHEMBL22900489 0.80 KMT2A (0.46) SMN1; SMN2KDM4EALDH1A1NPSR1MAPT
SCHEMBL27268665 0.78 NPC1 (0.39) SMN1; SMN2LMNAKDM4EALDH1A1NPSR1
SCHEMBL16244558 0.77 PDE4A (0.41) SMN1; SMN2ALDH1A1NPSR1MAPTUSP2
SCHEMBL31467462 0.77 ALDH1A1 (0.41) SMN1; SMN2KDM4EALDH1A1NPSR1MAPT
SCHEMBL4158664 0.77 MAPT (0.45) SMN1; SMN2LMNAKDM4EALDH1A1MAPT
SCHEMBL31667548 0.77 POLB (0.50) SMN1; SMN2LMNAKDM4EALDH1A1MAPT
SCHEMBL4130076 0.76 SMN1; SMN2 (0.50) SMN1; SMN2LMNAKDM4EALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US 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-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE S1PR1, S1PR3, S1PR2 SMN1; SMN2 3091/4885LMNA 3437/4885KDM4E 2845/4885

“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.