SCHEMBL13279367

SCHEMBL13279367

CC(C)(C)OC(=O)N1CCN(c2nc3cc(O)ccc3o2)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.52
CNR2 P34972 4/20 0.50
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
MAP4K4 O95819 1/20 0.46
ESR2 Q92731 1/20 0.46

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
SCHEMBL3101638 0.88 PTGES (0.56) PIK3CACNR2
SCHEMBL25400235 0.88 PIK3CA (0.51) PIK3CACNR2LMNAHTTSMN1; SMN2
SCHEMBL27077768 0.88 PIK3CA (0.51) PIK3CACNR2LMNAHTTSMN1; SMN2
SCHEMBL15750161 0.86 CNR2 (0.55) PIK3CACNR2LMNAHTTSMN1; SMN2
SCHEMBL4058660 0.85 GAA (0.64) PIK3CALMNAHTTSMN1; SMN2GAA
SCHEMBL3075253 0.84 PTGES (0.62) PIK3CACNR2KMT2A
SCHEMBL22371559 0.84 GPR119 (0.44) PIK3CACNR2
SCHEMBL4067029 0.83 NAAA (0.52) PIK3CACNR2LMNAGAAKMT2A
SCHEMBL13094453 0.81 CKS1B (0.55) PIK3CACNR2LMNAHTTSMN1; SMN2
SCHEMBL3264562 0.81 GAA (0.59) PIK3CACNR2LMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200276176-A1 COMPOUNDS FOR TARGETING MUTANT HUNTINGTIN PROTEIN AND USES THEREOF CHDI FOUNDATION, INC. 2020-09-03 US disclosed
EP-2697232-B1 6,7-DIHYDROIMIDAZO[2,1-B][1,3]OXAZINE BACTERICIDES OTSUKA PHARMA CO LTD (JP) 2016-05-18 EP disclosed
US-9051333-B2 6,7-dihydroimidazo [2,1-b] [1,3]oxazine bactericides OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-06-09 US disclosed
EP-2697232-A1 6,7 - DIHYDROIMIDAZO [2, 1 - B][1, 3]OXAZINE BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-02-19 EP disclosed
US-20140031342-A1 6,7-DIHYDROIMIDAZO [2,1-b] [1,3]OXAZINE BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 US disclosed
WO-2012141338-A1 6,7 - DIHYDROIMIDAZO [2, 1 - B] [1, 3] OXAZINE BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-10-18 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-20200276176-A1 COMPOUNDS FOR TARGETING MUTANT HUNTINGTIN PROTEIN AND USES THEREOF HTT, HYPK, UBQLN2 PIK3CA 3033/4885CNR2 4727/4885LMNA 3285/4885
US-20140031342-A1 6,7-DIHYDROIMIDAZO [2,1-b] [1,3]OXAZINE BACTERICIDES BRD1, OXA1L, QDPR PIK3CA 1968/4885CNR2 1638/4885LMNA 4252/4885

“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.