SCHEMBL13554383

SCHEMBL13554383

O=C1NC(C2CCCCC2)=NC12CCN(S(=O)(=O)C#Cc1cccc3c1CCC3)CC2

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 6/20 0.43
CALCRL Q16602 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL849378 0.85 PTH1R (0.49) PTH1RCALCRLKDM4EALDH1A1HPGD
SCHEMBL13555121 0.84 PTH1R (0.46) PTH1RCALCRLKDM4EALDH1A1HPGD
SCHEMBL850398 0.81 PTH1R (0.41) PTH1RCALCRL
SCHEMBL13385961 0.71 PTH1R (0.52) PTH1RCALCRL
SCHEMBL849883 0.71 PTH1R (0.52) PTH1RCALCRLKDM4EALDH1A1HPGD
SCHEMBL846939 0.70 MEN1 (0.54) PTH1R
SCHEMBL13552099 0.69 PTH1R (0.48) PTH1RCALCRL
SCHEMBL848776 0.69 MEN1 (0.51) PTH1RKDM4EALDH1A1HPGD
SCHEMBL847703 0.69 NEK2 (0.52) PTH1RALDH1A1HPGD
SCHEMBL849399 0.69 PTH1R (0.57) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1869/4885CALCRL 1957/4885KDM4E 2949/4885

“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.