SCHEMBL1980900

SCHEMBL1980900

C[C@@]1(c2cc(N)ccc2F)CCOC(N)=N1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.56
BACE2 Q9Y5Z0 7/20 0.56
CYP2D6 P10635 1/20 0.53

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
SCHEMBL1980902 1.00 BACE1 (0.56) BACE1BACE2CYP2D6
SCHEMBL13268458 0.83 BACE1 (0.58) BACE1BACE2CYP2D6
SCHEMBL13268459 0.83 BACE1 (0.58) BACE1BACE2CYP2D6
SCHEMBL1976031 0.83 BACE1 (0.55) BACE1BACE2CYP2D6
SCHEMBL1976028 0.83 BACE1 (0.55) BACE1BACE2CYP2D6
SCHEMBL2592463 0.82 BACE1 (0.56) BACE1BACE2
SCHEMBL2593857 0.82 BACE1 (0.56) BACE1BACE2
SCHEMBL2588729 0.82 BACE1 (0.57) BACE1BACE2
SCHEMBL2588722 0.82 BACE1 (0.57) BACE1BACE2
SCHEMBL17907548 0.80 BACE1 (0.52) BACE1BACE2CYP2D6

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2511268-B2 OXAZINE DERIVATIVE SHIONOGI & CO (JP) 2021-02-17 EP claimed
EP-2511268-B1 OXAZINE DERIVATIVE SHIONOGI & CO (JP) 2016-07-13 EP claimed
EP-2509966-B1 AMINO OXAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-10-22 EP claimed
EP-2509966-A1 AMINO OXAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-17 EP claimed
US-9656974-B2 Oxazine derivatives SHIONOGI & CO., LTD. (JP) 2017-05-23 US disclosed
US-9656974-B2 Oxazine derivatives SHIONOGI & CO., LTD. (JP) 2017-05-23 US disclosed
US-20160159757-A1 OXAZINE DERIVATIVES SHIONOGI & CO (JP) 2016-06-09 US disclosed
US-20160159757-A1 OXAZINE DERIVATIVES SHIONOGI & CO (JP) 2016-06-09 US disclosed
US-20160090360-A1 SYNTHESIS OF BACE INHIBITORS HOFFMANN LA ROCHE (US) 2016-03-31 US disclosed
US-9290466-B2 Oxazine derivatives SHIONOGI & CO., LTD. (JP) 2016-03-22 US disclosed
US-9290466-B2 Oxazine derivatives SHIONOGI & CO., LTD. (JP) 2016-03-22 US disclosed
US-20150166491-A1 OXAZINE DERIVATIVES SHIONOGI & CO (JP) 2015-06-18 US disclosed
US-20120295900-A1 1,3-OXAZINES AS BACE 1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 US disclosed
US-20120295900-A1 1,3-OXAZINES AS BACE 1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 US disclosed
EP-2509966-A1 AMINO OXAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-17 EP disclosed
US-20120238557-A1 AMINOTHIAZINE OR AMINOOXAZINE DERIVATIVE HAVING AMINO LINKER SHIONOGI & CO., LTD. (JP) 2012-09-20 US disclosed
US-20120238557-A1 AMINOTHIAZINE OR AMINOOXAZINE DERIVATIVE HAVING AMINO LINKER SHIONOGI & CO., LTD. (JP) 2012-09-20 US disclosed
EP-2500344-A1 AMINOTHIAZINE OR AMINOOXAZINE DERIVATIVE HAVING AMINO LINKER Shionogi&Co., Ltd. (JP) 2012-09-19 EP disclosed
US-7964594-B1 Amino oxazine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
US-20110144098-A1 AMINO OXAZINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-06-16 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 (6 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-20120238557-A1 AMINOTHIAZINE OR AMINOOXAZINE DERIVATIVE HAVING AMINO LINKER APP, APBA1, SLC1A5 BACE1 12/4885BACE2 112/4885CYP2D6 2122/4885
US-20150166491-A1 OXAZINE DERIVATIVES APP, BACE1, PSEN1 BACE1 2/4885BACE2 8/4885CYP2D6 1039/4885
US-20110144098-A1 AMINO OXAZINE DERIVATIVES BACE2, BACE1, PSEN2 BACE1 2/4885BACE2 1/4885CYP2D6 187/4885
US-20160159757-A1 OXAZINE DERIVATIVES APP, BACE1, PSEN1 BACE1 2/4885BACE2 8/4885CYP2D6 1039/4885
US-20160090360-A1 SYNTHESIS OF BACE INHIBITORS BACE2, BACE1, APP BACE1 2/4885BACE2 1/4885CYP2D6 302/4885
US-20120295900-A1 1,3-OXAZINES AS BACE 1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 BACE1 2/4885BACE2 1/4885CYP2D6 1210/4885

“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.