SCHEMBL13065393

SCHEMBL13065393

CC(C)(C)OC(=O)N1CCC(C#N)(NC(=O)C2CCCCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
EPHX1 P07099 1/20 0.48
HPGD P15428 1/20 0.47
CTSS P25774 9/20 0.44
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
CTSK P43235 9/20 0.41
CTSB P07858 8/20 0.41
EPHX2 P34913 1/20 0.41
KCNH2 Q12809 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL13551798 1.00 KMT2A (0.49) KMT2AMEN1ALDH1A1MAPTEPHX1
SCHEMBL13064566 0.96 KMT2A (0.49) KMT2AMEN1ALDH1A1MAPTEPHX1
SCHEMBL13551875 0.89 CTSS (0.43) KMT2AMEN1ALDH1A1MAPTEPHX1
SCHEMBL13553343 0.89 CTSS (0.42) KMT2AMEN1ALDH1A1MAPTEPHX1
SCHEMBL13552506 0.86 CTSS (0.42) KMT2AMEN1ALDH1A1MAPTEPHX1
SCHEMBL13552336 0.86 CTSS (0.42) KMT2AMEN1ALDH1A1MAPTEPHX1
SCHEMBL13553341 0.83 CTSS (0.40) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL13552330 0.83 CTSS (0.40) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL8109743 0.82 CTSK (0.51) CTSSCTSKCTSBKCNH2CYP3A4
SCHEMBL7014148 0.79 USP2 (0.45) KMT2AMEN1ALDH1A1MAPTEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
WO-2010126030-A1 SPIROIMIDAZOLONE DERIVATIVE 中外製薬株式会社 (JP) 2010-11-04 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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 KMT2A 3163/4885MEN1 276/4885ALDH1A1 836/4885

“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.