SCHEMBL879711

SCHEMBL879711

Cc1cc(NC2CCOCC2)cc(C)c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.45
PIP5K1C O60331 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
LRRK2 Q5S007 1/20 0.35
EZH2 Q15910 1/20 0.34
PTPN1 P18031 1/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PDE10A Q9Y233 3/20 0.33
PDE2A O00408 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
PDE6D O43924 1/20 0.33
PDE5A O76074 1/20 0.33
PDE6A P16499 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
SCHEMBL16302272 0.82 MAPK1 (0.45) MAPK1PIP5K1CHDAC3HDAC1HDAC2
SCHEMBL21297220 0.82 MAPK1 (0.45) MAPK1PIP5K1CIRAK4LRRK2BACE1
SCHEMBL10291039 0.79 MAPK1 (0.53) MAPK1PIP5K1CHDAC3HDAC1HDAC2
SCHEMBL15830060 0.75 BACE1 (0.48) MAPK1PDE10APDE2ABACE1BACE2
SCHEMBL15830063 0.72 MAPK1 (0.46) MAPK1PIP5K1CIRAK4LRRK2BACE1
SCHEMBL15830028 0.72 MAPK1 (0.46) MAPK1PIP5K1CIRAK4LRRK2PDE10A
SCHEMBL15830062 0.72 GAK (0.47) MAPK1PDE10APDE6DPDE5APDE6A
SCHEMBL178453 0.72 MAPK1 (0.53) MAPK1IRAK4LRRK2MAPT
SCHEMBL18129725 0.72 KDM1A (0.51) MAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL16358724 0.71

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 8 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-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 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
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 (2 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 MAPK1 817/4885PIP5K1C 3744/4885HDAC3 23/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 MAPK1 817/4885PIP5K1C 3744/4885HDAC3 23/4885

“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.