SCHEMBL2245125

SCHEMBL2245125

CC(C)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.54
USP30 Q70CQ3 4/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HPGD P15428 1/20 0.49
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC4 P56524 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PARP1 P09874 1/20 0.44
FPR3 P25089 1/20 0.44
FPR2 P25090 1/20 0.44
BRD4 O60885 1/20 0.42

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
SCHEMBL2241956 1.00 EPHX1 (0.54) EPHX1USP30ALDH1A1MAPTCA1
SCHEMBL10228223 1.00 EPHX1 (0.54) EPHX1USP30ALDH1A1MAPTCA1
SCHEMBL2245084 0.95 EPHX1 (0.56) EPHX1USP30ALDH1A1MAPTCA1
SCHEMBL13696777 0.92 EPHX1 (0.58) EPHX1USP30ALDH1A1MAPTMEN1
SCHEMBL3332510 0.92 EPHX1 (0.58) EPHX1USP30ALDH1A1MAPTMEN1
SCHEMBL654850 0.92 EPHX1 (0.58) EPHX1USP30ALDH1A1MAPTMEN1
SCHEMBL22620277 0.88 ALDH1A1 (0.49) EPHX1USP30ALDH1A1MAPTCA1
SCHEMBL1420850 0.87 ALDH1A1 (0.51) EPHX1USP30ALDH1A1MAPTCA1
SCHEMBL2894275 0.87 ALDH1A1 (0.51) EPHX1USP30ALDH1A1MAPTCA1
SCHEMBL12991276 0.87 ALDH1A1 (0.51) EPHX1USP30ALDH1A1MAPTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 EPHX1 1017/4885USP30 3836/4885ALDH1A1 288/4885

“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.