SCHEMBL879905

SCHEMBL879905

O=C1NC(C2CCCCC2)=NC12CCN(S(=O)(=O)/C=C/c1cccc3ncccc13)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 6/20 0.40
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36
NMT1 P30419 1/20 0.35
CALCRL Q16602 1/20 0.34
ACVR1 Q04771 1/20 0.32
HTR1A P08908 3/20 0.31
DRD2 P14416 3/20 0.31
HTR2A P28223 3/20 0.31
HTR7 P34969 3/20 0.31
HTR6 P50406 3/20 0.31
POLB P06746 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 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
SCHEMBL849622 0.87 PTH1R (0.40) PTH1RTSHRLMNA
SCHEMBL849621 0.87 PTH1R (0.40) PTH1RTSHRLMNA
SCHEMBL16087590 0.84 PTH1R (0.41) PTH1RCYP3A4MAPTHTR7
SCHEMBL849705 0.83 PTH1R (0.40) PTH1RCALCRL
SCHEMBL13552188 0.82 PTH1R (0.47) PTH1RTSHRLMNAMAPTCALCRL
SCHEMBL849237 0.82 PTH1R (0.41) PTH1RCALCRLKDM4E
SCHEMBL849238 0.82 PTH1R (0.41) PTH1RCALCRLKDM4E
SCHEMBL847186 0.82 PTH1R (0.48) PTH1RCALCRL
SCHEMBL847187 0.82 PTH1R (0.48) PTH1RCALCRL
SCHEMBL847658 0.81 PTH1R (0.43) PTH1RCALCRL

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 10 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
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
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 1869/4885CYP3A4 169/4885TSHR 914/4885

“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.