SCHEMBL17815345

SCHEMBL17815345

C[C@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)OC2CCOCC21

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.76
BACE2 Q9Y5Z0 2/20 0.69
CYP2D6 P10635 1/20 0.66

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
SCHEMBL17815403 0.93 BACE1 (0.79) BACE1BACE2CYP2D6
SCHEMBL11917948 0.93 BACE1 (0.79) BACE1BACE2CYP2D6
SCHEMBL22990839 0.90 BACE1 (0.79) BACE1BACE2CYP2D6
SCHEMBL17815343 0.90 BACE1 (0.79) BACE1BACE2CYP2D6
SCHEMBL17815361 0.90 BACE1 (0.79) BACE1BACE2CYP2D6
SCHEMBL17815401 0.90 BACE1 (0.79) BACE1BACE2
SCHEMBL17815404 0.87 BACE1 (0.69) BACE1BACE2
SCHEMBL14788018 0.86 BACE1 (1.00) BACE1BACE2CYP2D6
SCHEMBL20005548 0.84 BACE1 (1.00) BACE1BACE2CYP2D6
SCHEMBL16709923 0.84 BACE1 (1.00) 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 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 8/4885CYP2D6 1039/4885

“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.