SCHEMBL2279331

SCHEMBL2279331

CCOC(=O)c1nn(C)c(Oc2ccc(C)cc2)c1CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
PTGS2 P35354 1/20 0.42
ELANE P08246 1/20 0.42
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
TARBP2 Q15633 1/20 0.40
GLA P06280 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39

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
SCHEMBL4116354 0.84 ELANE (0.46) ALDH1A1SMN1; SMN2RAB9ANPC1ELANE
SCHEMBL4130076 0.82 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2RAB9ANPC1PTGS2
SCHEMBL4114744 0.81 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2RAB9ANPC1PTGS2
SCHEMBL2276349 0.77 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2RAB9AKMT2ALMNA
SCHEMBL1705570 0.75 RAB9A (0.46) ALDH1A1SMN1; SMN2RAB9ANPC1PTGS2
SCHEMBL31467462 0.74 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2RAB9ANPC1ELANE
SCHEMBL12373448 0.74 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL4120589 0.74 KDM4E (0.38) ALDH1A1SMN1; SMN2RAB9AKMT2ALMNA
SCHEMBL14037121 0.72 CCNA2 (0.34) ALDH1A1SMN1; SMN2RAB9ANPC1ELANE
SCHEMBL4108323 0.71 KDM4E (0.36) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1988081-B1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO LTD (JP) 2012-10-17 EP disclosed
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
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
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
EP-1988081-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-11-05 EP 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 ALDH1A1 2969/4885SMN1; SMN2 3091/4885RAB9A 2826/4885

“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.