SCHEMBL851280

SCHEMBL851280

NC(=O)C1(N)CN(S(=O)(=O)CCc2cccc3ccccc23)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 1/20 0.48
MTNR1A P48039 2/20 0.45
GRM2 Q14416 2/20 0.43
GRM3 Q14832 2/20 0.43
TACR1 P25103 1/20 0.41
NQO2 P16083 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
CA2 P00918 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CTNNB1 P35222 1/20 0.36
BLM P54132 1/20 0.36
ADA P00813 1/20 0.36
MAPT P10636 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL13553917 0.81 TAOK1 (0.44) TAOK1MTNR1AGRM2GRM3TACR1
SCHEMBL13555067 0.79 TACR1 (0.52) TAOK1MTNR1AGRM2GRM3TACR1
SCHEMBL880098 0.76 TAOK1 (0.41) TAOK1MTNR1AGRM2GRM3TACR1
SCHEMBL13553926 0.76 TAOK1 (0.41) TAOK1MTNR1ATACR1NQO2MEN1
SCHEMBL880100 0.76 TAOK1 (0.50) TAOK1MTNR1ATACR1NQO2TDP1
SCHEMBL880097 0.75 TAOK1 (0.49) TAOK1MTNR1ATACR1NQO2TDP1
SCHEMBL848794 0.74 TACR1 (0.48) TAOK1MTNR1AGRM2GRM3TACR1
SCHEMBL850304 0.73 TAOK1 (0.53) TAOK1TACR1NQO2CA2MEN1
SCHEMBL7466269 0.70 MTNR1A (0.52) MTNR1ANQO2TDP1CA2MEN1
SCHEMBL13553918 0.69 TAOK1 (0.39) TAOK1TACR1NQO2CA2MEN1

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 13 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-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-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
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 TAOK1 915/4885MTNR1A 967/4885GRM2 1767/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 TAOK1 915/4885MTNR1A 967/4885GRM2 1767/4885

“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.