SCHEMBL848138

SCHEMBL848138

CC(C)(C)OC(=O)N1CCC(C#N)(NC(=O)C2(C(F)(F)F)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.39
CTSB P07858 8/20 0.39
CTSK P43235 8/20 0.39
EPHX2 P34913 1/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSL P07711 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36
ATM Q13315 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
SCHEMBL16357885 0.91 CTSS (0.38) CTSSCTSBCTSKEPHX2USP2
SCHEMBL1684776 0.84 CTSS (0.43) CTSSCTSBCTSKEPHX2USP2
SCHEMBL7014148 0.79 USP2 (0.45) CTSKEPHX2USP2SMN1; SMN2GPR119
SCHEMBL13553335 0.79 EPHX2 (0.53) CTSSEPHX2SMN1; SMN2
SCHEMBL13553341 0.77 CTSS (0.40) CTSSCTSBCTSKEPHX2SMN1; SMN2
SCHEMBL18319117 0.77 CTSL (0.43) CTSSCTSBCTSKEPHX2USP2
SCHEMBL5567245 0.77 CTSK (0.39) CTSSCTSBCTSKEPHX2USP2
SCHEMBL13065393 0.76 KMT2A (0.49) CTSSCTSBCTSKEPHX2
SCHEMBL13551798 0.76 KMT2A (0.49) CTSSCTSBCTSKEPHX2
SCHEMBL17445321 0.75 CTSS (0.37) CTSSCTSBCTSKEPHX2CTSL

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 14 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-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
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
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 CTSS 3944/4885CTSB 3927/4885CTSK 2140/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 CTSS 3944/4885CTSB 3927/4885CTSK 2140/4885

“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.