SCHEMBL4748075

SCHEMBL4748075

CC(C)(C)OC(=O)C12CCCC1CN(Cc1ccccc1)C2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.39
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
FKBP1A P62942 1/20 0.36
BCHE P06276 2/20 0.36
HTR6 P50406 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
HPGD P15428 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
RIPK1 Q13546 1/20 0.35

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
SCHEMBL4748073 0.78 KMT2A (0.42) KMT2AL3MBTL1MEN1ALDH1A1HPGD
SCHEMBL27487700 0.77 KMT2A (0.43) KMT2AL3MBTL1MEN1TSHRALDH1A1
SCHEMBL2670728 0.75 KMT2A (0.43) KMT2AL3MBTL1TSHRALDH1A1BCHE
SCHEMBL4748061 0.74 KMT2A (0.42) KMT2AL3MBTL1MEN1TSHRALDH1A1
SCHEMBL4671695 0.70 KMT2A (0.45) KMT2AL3MBTL1TSHRALDH1A1MAPK1
SCHEMBL27293068 0.70 TSHR (0.41) KMT2AL3MBTL1MEN1TSHRALDH1A1
SCHEMBL34473649 0.68 KMT2A (0.47) KMT2AL3MBTL1MEN1ALDH1A1BCHE
SCHEMBL31334693 0.68 NPFFR1 (0.53) KMT2ATSHRALDH1A1MAPK1OPRL1
SCHEMBL4797090 0.68 KMT2A (0.42) KMT2AL3MBTL1MEN1TSHRALDH1A1
SCHEMBL13201400 0.68 OPRD1 (0.49) KMT2AL3MBTL1MEN1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 US disclosed
US-20130029977-A9 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2013-01-31 US disclosed
US-20120108582-A1 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2012-05-03 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 (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-20120108582-A1 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 KMT2A 2847/4885L3MBTL1 1846/4885MEN1 3591/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 KMT2A 2847/4885L3MBTL1 1846/4885MEN1 3591/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 KMT2A 2847/4885L3MBTL1 1846/4885MEN1 3591/4885

“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.