SCHEMBL879688

SCHEMBL879688

O=C1NC(C2CCCNC2)=NC12CCN(S(=O)(=O)CCc1cccc3ccccc13)CC2

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 6/20 0.50
TACR1 P25103 1/20 0.43
TAOK1 Q7L7X3 1/20 0.42
CALCRL Q16602 1/20 0.34
HTR6 P50406 2/20 0.34
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 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
Trifluoroacetic Acid SCHEMBL849440 0.93 PTH1R (0.48) PTH1RTACR1TAOK1CALCRLHTR6
SCHEMBL848117 0.91 PTH1R (0.59) PTH1RTACR1TAOK1CALCRLATM
SCHEMBL849380 0.89 PTH1R (0.51) PTH1RTACR1TAOK1CALCRLADRA1D
SCHEMBL847147 0.84 TACR1 (0.48) PTH1RTACR1TAOK1CALCRLADRA1D
SCHEMBL849558 0.84 PTH1R (0.47) PTH1RTACR1TAOK1
SCHEMBL848076 0.82 PTH1R (0.55) PTH1RTACR1TAOK1
SCHEMBL849871 0.82 PTH1R (0.47) PTH1RTACR1TAOK1CALCRL
SCHEMBL848872 0.82 PTH1R (0.47) PTH1RTACR1TAOK1CALCRL
SCHEMBL849870 0.82 PTH1R (0.47) PTH1RTACR1TAOK1CALCRL
SCHEMBL847224 0.81 PTH1R (0.48) PTH1RTACR1TAOK1TDP1

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 PTH1R 1869/4885TACR1 141/4885TAOK1 915/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 PTH1R 1869/4885TACR1 141/4885TAOK1 915/4885

“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.