SCHEMBL1015082

SCHEMBL1015082

COC(=O)c1ccn(CC(C)C)c(=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HSD17B10 Q99714 3/20 0.46
POLB P06746 1/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
ACACB O00763 1/20 0.45
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
XDH P47989 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
GAA P10253 2/20 0.38
CASP3 P42574 1/20 0.38
KDM5A P29375 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
SCHEMBL29169174 0.88 KDM4E (0.44) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL25075368 0.88 KDM4E (0.44) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL29168963 0.80 KDM4E (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL29168967 0.80 KDM4E (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL12180387 0.79 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL29343021 0.78 KDM4E (0.69) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL15971349 0.78 KDM4E (0.55) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL31046584 0.78 KMT2A (0.40) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL23535252 0.78 NOTUM (0.42) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL13522484 0.78 KDM5A (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2003132-B1 Oxadiazole derivatives as S1P1 agonists ASTELLAS PHARMA INC (JP) 2014-03-05 EP disclosed
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
EP-2271643-B1 OXADIAZOLES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
EP-2271643-B1 OXADIAZOLES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
US-7951825-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2011-05-31 US disclosed
US-7951825-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2011-05-31 US disclosed
US-7951825-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2011-05-31 US disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
US-20100168159-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2010-07-01 US disclosed
US-7678820-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2010-03-16 US disclosed
US-7678820-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2010-03-16 US disclosed
US-7678820-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2010-03-16 US disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 WO disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 WO disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 US disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 US disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 US disclosed
EP-2003132-A1 HETERO COMPOUND Astellas Pharma Inc. (JP) 2008-12-17 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 (3 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-20110039889-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 ALDH1A1 427/4885KDM4E 4128/4885HPGD 274/4885
US-20100168159-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 ALDH1A1 3640/4885KDM4E 4796/4885HPGD 4279/4885
US-20090076070-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 ALDH1A1 3640/4885KDM4E 4796/4885HPGD 4279/4885

“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.