SCHEMBL851002

SCHEMBL851002

CC(C)(C)OC(=O)N1CCC2(CC1)N=C(Nc1cccc(C(F)(F)F)c1)NC2=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.44
TACR1 P25103 1/20 0.44
MAPT P10636 2/20 0.43
POLB P06746 2/20 0.43
SYK P43405 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
JAK2 O60674 6/20 0.41
JAK1 P23458 6/20 0.41
BRD4 O60885 1/20 0.41
EP300 Q09472 1/20 0.41
CREBBP Q92793 1/20 0.41
JAK3 P52333 2/20 0.40
PTK2 Q05397 2/20 0.40
NOTCH1 P46531 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL10290691 0.89 MAPT (0.52) TACR1MAPTSYKJAK2JAK1
SCHEMBL13554397 0.88 JAK1 (0.51) TACR1HSD17B10JAK2JAK1
SCHEMBL13551815 0.85 TACR1 (0.45) RXFP1TACR1MAPTPOLBSYK
SCHEMBL850787 0.80 TACR1 (0.42) RXFP1TACR1MAPTSYKALDH1A1
SCHEMBL850788 0.80 TACR1 (0.42) RXFP1TACR1MAPTSYKALDH1A1
SCHEMBL13064754 0.78 IDH2 (0.46)
SCHEMBL850708 0.77 TACR1 (0.42) TACR1MAPTSYKJAK2JAK1
SCHEMBL13064542 0.74 SCN9A (0.43)
SCHEMBL32660716 0.73 MAPT (0.69) RXFP1MAPTPOLBHSD17B10MEN1
SCHEMBL2604312 0.73 USP30 (0.47)

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 9 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-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
EP-2433940-B1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-09-24 EP disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP disclosed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP 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 RXFP1 187/4885TACR1 141/4885MAPT 3000/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 RXFP1 187/4885TACR1 141/4885MAPT 3000/4885

“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.