SCHEMBL17119244

SCHEMBL17119244

NC1=N[C@@](c2cc(NC(=O)c3cnc(OCF)cn3)ccc2F)(C(F)F)CCCO1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.67
BACE2 Q9Y5Z0 7/20 0.61
CYP2D6 P10635 3/20 0.61

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
SCHEMBL17119081 0.95 BACE1 (0.71) BACE1BACE2CYP2D6
SCHEMBL17119242 0.91 BACE1 (0.73) BACE1BACE2
SCHEMBL17119162 0.87 BACE1 (0.62) BACE1BACE2CYP2D6
SCHEMBL17119251 0.87 BACE1 (0.68) BACE1BACE2
SCHEMBL17119082 0.86 BACE1 (0.79) BACE1BACE2
SCHEMBL17119147 0.86 BACE1 (0.72) BACE1BACE2
SCHEMBL18379293 0.82 BACE1 (0.91) BACE1BACE2
SCHEMBL17119153 0.82 BACE1 (0.91) BACE1BACE2
SCHEMBL17119213 0.82 BACE1 (0.73) BACE1BACE2
SCHEMBL17119294 0.82 BACE1 (0.83) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758513-B2 Dihydrooxazine or oxazepine derivatives having BACE1 inhibitory activity SHIONOGI & CO., LTD. (JP) 2017-09-12 US disclosed
US-20170008881-A1 DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2017-01-12 US disclosed
US-9540359-B2 Dihydrooxazine or oxazepine derivatives having BACE1 inhibitory activity SHIONOGI & CO., LTD. (JP) 2017-01-10 US disclosed
US-20150266865-A1 DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2015-09-24 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 (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-20150266865-A1 DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885CYP2D6 1534/4885
US-20170008881-A1 DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885CYP2D6 1534/4885

“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.