SCHEMBL17815402

SCHEMBL17815402

C[C@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)OC2COCC21

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.82
BACE2 Q9Y5Z0 2/20 0.70
CTSD P07339 1/20 0.65

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
SCHEMBL11917603 1.00 BACE1 (0.82) BACE1BACE2CTSD
SCHEMBL11917958 0.93 BACE1 (0.71) BACE1BACE2CTSD
SCHEMBL17815401 0.93 BACE1 (0.79) BACE1BACE2CTSD
SCHEMBL16041422 0.90 BACE1 (1.00) BACE1BACE2CTSD
SCHEMBL16041424 0.90 BACE1 (1.00) BACE1BACE2CTSD
SCHEMBL22990843 0.90 BACE1 (0.71) BACE1BACE2CTSD
SCHEMBL17815408 0.90 BACE1 (0.71) BACE1BACE2CTSD
SCHEMBL11917948 0.89 BACE1 (0.79) BACE1BACE2
SCHEMBL17815403 0.89 BACE1 (0.79) BACE1BACE2
SCHEMBL11917890 0.89 BACE1 (0.71) BACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20160159757-A1 OXAZINE DERIVATIVES APP, BACE1, PSEN1 BACE1 2/4885BACE2 8/4885CTSD 3904/4885

“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.