SCHEMBL880136

SCHEMBL880136

O=C(CS(=O)(=O)N1CCC2(CC1)N=C(C1CCCCC1)NC2=O)c1cccc2[nH]ccc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 6/20 0.48
CNR2 P34972 2/20 0.38
CALCRL Q16602 1/20 0.36
MGLL Q99685 2/20 0.35
IDH1 O75874 1/20 0.34
MAPK14 Q16539 1/20 0.33
CCR5 P51681 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
HCRTR2 O43614 1/20 0.32
CCR3 P51677 1/20 0.31
P2RX7 Q99572 1/20 0.31
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31

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
SCHEMBL849251 0.83 PTH1R (0.57) PTH1RCALCRL
SCHEMBL847212 0.83 PTH1R (0.57) PTH1RCALCRLOPRM1OPRK1HCRTR2
SCHEMBL849115 0.81 PTH1R (0.51) PTH1RCNR2CALCRLOPRM1OPRK1
SCHEMBL848693 0.80 PTH1R (0.50) PTH1RCNR2CALCRLOPRM1OPRK1
SCHEMBL849724 0.79 PTH1R (0.46) PTH1RCNR2CALCRL
SCHEMBL849725 0.79 PTH1R (0.46) PTH1RCNR2CALCRL
SCHEMBL850398 0.78 PTH1R (0.41) PTH1RCNR2CALCRL
SCHEMBL848772 0.78 PTH1R (0.45) PTH1RCNR2CALCRL
SCHEMBL848773 0.78 PTH1R (0.45) PTH1RCNR2CALCRL
SCHEMBL849705 0.78 PTH1R (0.40) PTH1RCNR2CALCRL

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-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-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
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
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 PTH1R 1869/4885CNR2 1502/4885CALCRL 1957/4885

“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.