SCHEMBL1186965

SCHEMBL1186965

CC(C)(C)OC(=O)NCCCc1cc(C(F)(F)F)cc(C(F)(F)F)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 1/20 0.45
▸ CACNA1B Q00975 1/20 0.45
▸ CACNA1C Q13936 1/20 0.45
▸ P2RY14 Q15391 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ STK17B O94768 1/20 0.41
▸ STK17A Q9UEE5 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CA1 P00915 5/20 0.40
▸ CA2 P00918 5/20 0.40
▸ CA12 O43570 4/20 0.40
▸ CA9 Q16790 4/20 0.40
▸ BRD4 O60885 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NQO2 P16083 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ADRA2A P08913 1/20 0.38

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
SCHEMBL12874037 0.88 CACNA1H (0.45) CACNA1HCACNA1BCACNA1CP2RY14TDP1
SCHEMBL13699136 0.75 RHOC (0.53) TDP1GAAMEN1KMT2ACA1
SCHEMBL24742277 0.73 SIGMAR1 (0.41) CACNA1HCACNA1BCACNA1CP2RY14TDP1
SCHEMBL28929817 0.73 HDAC1 (0.51) P2RY14TDP1HTTMEN1KMT2A
SCHEMBL19300897 0.73 RHOC (0.50) CACNA1HCACNA1BCACNA1CTDP1GAA
SCHEMBL18357827 0.73 CACNA1B (0.54) CACNA1HCACNA1BCACNA1CCA1CA2
SCHEMBL18072358 0.72 CACNA1H (0.43) CACNA1HCACNA1BCACNA1CSTK17BSTK17A
SCHEMBL14433656 0.72 RHOC (0.48) CACNA1HCACNA1BCACNA1CTDP1STK17B
SCHEMBL8686230 0.71 CACNA1H (0.46) CACNA1HCACNA1BCACNA1CTDP1GAA
SCHEMBL14454939 0.71 TDP1 (0.50) TDP1HTTSTK17BSTK17AGAA

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-2203459-B1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2016-03-16 — — EP disclosed
EP-2203459-B1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2016-03-16 — — EP disclosed
US-8901112-B2 Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2014-12-02 — — US disclosed
US-8901112-B2 Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2014-12-02 — — US disclosed
US-20140005184-A1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN PHARMACEUTICALS CO., LTD. (JP) 2014-01-02 — — US disclosed
US-8476261-B2 Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 — — US disclosed
US-8476261-B2 Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 — — US disclosed
US-20110034436-A1 SPIROCYCLIC AMINOQUINOLNES AS GSK-3 INHIBITORS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-02-10 — — US disclosed
EP-2203459-A1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS Activx Biosciences, Inc. (US) 2010-07-07 — — EP disclosed
WO-2009035684-A1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS ACTIVX BIOSCIENCES, INC. (US) 2009-03-19 — — WO disclosed
WO-2009035684-A1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS ACTIVX BIOSCIENCES, INC. (US) 2009-03-19 — — 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-20140005184-A1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS GSK3A, GSK3B, GSKIP CACNA1H 3691/4885CACNA1B 3385/4885CACNA1C 3438/4885
US-20110034436-A1 SPIROCYCLIC AMINOQUINOLNES AS GSK-3 INHIBITORS GSK3A, GSK3B, GSKIP CACNA1H 3713/4885CACNA1B 2966/4885CACNA1C 3610/4885

“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.

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