SCHEMBL3510508

SCHEMBL3510508

COC(=O)c1cnc(CCO)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SIRT6 Q8N6T7 1/20 0.39
CYP4A11 Q02928 3/20 0.38
CYP4F2 P78329 2/20 0.38
LCK P06239 1/20 0.38
POLB P06746 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 1/20 0.37
PCSK9 Q8NBP7 1/20 0.36
GAA P10253 1/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36

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
SCHEMBL19555964 0.86 MAPK1 (0.46) MAPK1KDM4EL3MBTL1SIRT6LCK
SCHEMBL991320 0.86 MAPK1 (0.49) MAPK1KDM4EL3MBTL1SIRT6LCK
SCHEMBL27643715 0.85 MAPK1 (0.45) MAPK1KDM4EL3MBTL1SIRT6CYP4A11
SCHEMBL17974338 0.83 MAPK1 (0.44) MAPK1KDM4EL3MBTL1SIRT6LCK
SCHEMBL12844583 0.82 MAPK1 (0.49) MAPK1KDM4EL3MBTL1SIRT6LCK
SCHEMBL12248211 0.82 MAPK1 (0.42) MAPK1KDM4EL3MBTL1SIRT6LCK
SCHEMBL68869 0.81 MAPK1 (0.63) MAPK1KDM4EL3MBTL1SIRT6LCK
SCHEMBL16615936 0.81 MAPK1 (0.47) MAPK1KDM4EL3MBTL1SIRT6LCK
SCHEMBL11030074 0.81 MAPK1 (0.47) MAPK1KDM4EL3MBTL1SIRT6LCK
SCHEMBL6917612 0.81 MAPK1 (0.47) MAPK1KDM4EL3MBTL1SIRT6LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-04-25 US disclosed
US-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-04-25 US disclosed
US-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-04-25 US disclosed
US-8329707-B2 Substituted pyrazine compounds ASTELLAS PHARMA INC. (JP) 2012-12-11 US disclosed
US-8329707-B2 Substituted pyrazine compounds ASTELLAS PHARMA INC. (JP) 2012-12-11 US disclosed
US-8329707-B2 Substituted pyrazine compounds ASTELLAS PHARMA INC. (JP) 2012-12-11 US disclosed
US-20100286171-A1 PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-11-11 US disclosed
US-20100286171-A1 PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-11-11 US disclosed
EP-2236498-A1 PHENYL ACETAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2010-10-06 EP disclosed
EP-2236498-A1 PHENYL ACETAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2010-10-06 EP disclosed
WO-2009091014-A1 PHENYL ACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-07-23 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 (2 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-20100286171-A1 PHENYLACETAMIDE DERIVATIVE AADAC, PGC, PC MAPK1 3073/4885KDM4E 1408/4885L3MBTL1 4317/4885
US-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE PC, PCK2, GCKR MAPK1 2284/4885KDM4E 2861/4885L3MBTL1 4654/4885

“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.