SCHEMBL848773

SCHEMBL848773

O=C1NC(C2CCCCC2)=NC12CCN(S(=O)(=O)CCCC=Cc1cccc3[nH]ccc13)CC2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 6/20 0.45
CALCRL Q16602 1/20 0.32
CNR2 P34972 2/20 0.31
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 0.31
PRKCQ Q04759 1/20 0.30
PRKCD Q05655 1/20 0.30
ATR Q13535 1/20 0.30
HTR1A P08908 1/20 0.30

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
SCHEMBL848772 1.00 PTH1R (0.45) PTH1RCALCRLCNR2PDE3BPDE3A
SCHEMBL849725 0.95 PTH1R (0.46) PTH1RCALCRLCNR2PRKCQPRKCD
SCHEMBL849724 0.95 PTH1R (0.46) PTH1RCALCRLCNR2PRKCQPRKCD
SCHEMBL849705 0.84 PTH1R (0.40) PTH1RCALCRLCNR2ATR
SCHEMBL849706 0.84 PTH1R (0.40) PTH1RCALCRLCNR2ATR
SCHEMBL849115 0.84 PTH1R (0.51) PTH1RCALCRLCNR2ATRHTR1A
SCHEMBL848693 0.83 PTH1R (0.50) PTH1RCALCRLCNR2ATRHTR1A
SCHEMBL847212 0.83 PTH1R (0.57) PTH1RCALCRLATR
SCHEMBL17445294 0.78 CNR2 (0.31) CNR2
SCHEMBL880136 0.78 PTH1R (0.48) PTH1RCALCRLCNR2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP claimed
EP-2433940-B1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-09-24 EP claimed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US claimed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP claimed
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

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 1869/4885CALCRL 1957/4885CNR2 1502/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 PTH1R 1869/4885CALCRL 1957/4885CNR2 1502/4885

“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.