SCHEMBL886271

SCHEMBL886271

O=C(O)c1[nH]c(=O)n(-c2ccccc2)c1CC1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.39
GSK3B P49841 3/20 0.38
GAA P10253 2/20 0.38
GSK3A P49840 1/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LIPG Q9Y5X9 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NTRK1 P04629 1/20 0.35
IGF1R P08069 1/20 0.35
FGFR1 P11362 1/20 0.35
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 1/20 0.35
MAPK10 P53779 2/20 0.35
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HSD17B10 Q99714 3/20 0.34

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
SCHEMBL885750 0.84 LMNA (0.39) GAAALDH1A1LMNAL3MBTL1MEN1
SCHEMBL885771 0.84 MAT2A (0.48) MAT2AGAAALDH1A1LMNAL3MBTL1
SCHEMBL2062746 0.83 REN (0.45)
SCHEMBL8164967 0.77 GPR119 (0.47) MEN1KMT2A
SCHEMBL885703 0.75 MAT2A (0.50) MAT2AGSK3BGAAGSK3AALDH1A1
SCHEMBL10964773 0.72 GSK3B (0.43) GSK3BGAAGSK3AALDH1A1LMNA
SCHEMBL11161558 0.72 GSK3B (0.43) GSK3BGAAGSK3AALDH1A1LMNA
Water SCHEMBL10965947 0.71 GAA (0.42) GSK3BGAAGSK3AALDH1A1LMNA
SCHEMBL886047 0.71 GAA (0.42) MAT2AGSK3BGAAGSK3AALDH1A1
SCHEMBL885949 0.70 GSK3B (0.44) GSK3BGAAGSK3AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO claimed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT MAT2A 2878/4885GSK3B 2792/4885GAA 96/4885

“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.