SCHEMBL2239739

SCHEMBL2239739

CCOC(=O)C[C@H]1CC[C@@H](NC(C)C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SRC P12931 8/20 0.38
EPHX1 P07099 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
THRB P10828 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
CASP6 P55212 1/20 0.34
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2241744 0.84 THRB (0.35) KMT2AL3MBTL1THRBATMALDH1A1
SCHEMBL2244928 0.84 THRB (0.35) KMT2AL3MBTL1THRBATMALDH1A1
SCHEMBL17686381 0.81 SRC (0.41) MEN1KMT2ASRCL3MBTL1GLA
SCHEMBL12353636 0.79 EPHX1 (0.36) MEN1KMT2AEPHX1L3MBTL1ALDH1A1
SCHEMBL2874465 0.78 GABRA1 (0.46) MEN1KMT2AL3MBTL1ATMALDH1A1
SCHEMBL10724223 0.78 GABRA1 (0.46) MEN1KMT2AL3MBTL1ATMALDH1A1
SCHEMBL1900990 0.78 GABRA1 (0.46) MEN1KMT2AL3MBTL1ATMALDH1A1
SCHEMBL29496240 0.78 MEN1 (0.40) MEN1KMT2ASRCATMALDH1A1
SCHEMBL12606502 0.77 PDE8B (0.43) MEN1KMT2AATMALDH1A1HPGD
SCHEMBL23555938 0.74 NR1H2 (0.44) MEN1KMT2ASRCL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 MEN1 1068/4885KMT2A 1812/4885SRC 1717/4885

“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.