SCHEMBL17201842

SCHEMBL17201842

NC1=NC2(CCO1)c1cc(N)ccc1Oc1cnc(C3=CCOCC3)cc12

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.61
CTSD P07339 5/20 0.61
KCNH2 Q12809 1/20 0.55

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
SCHEMBL17201840 1.00 BACE1 (0.61) BACE1CTSDKCNH2
SCHEMBL15418970 0.86 BACE1 (0.64) BACE1CTSDKCNH2
SCHEMBL15418969 0.86 BACE1 (0.65) BACE1CTSDKCNH2
SCHEMBL16109481 0.85 BACE1 (0.68) BACE1CTSDKCNH2
SCHEMBL16109631 0.85 BACE1 (0.68) BACE1CTSDKCNH2
SCHEMBL2521724 0.84 BACE1 (0.86) BACE1CTSDKCNH2
SCHEMBL15418964 0.84 BACE1 (0.86) BACE1CTSDKCNH2
SCHEMBL15717306 0.81 BACE1 (0.49) BACE1CTSDKCNH2
SCHEMBL16109595 0.81 BACE1 (0.65) BACE1CTSDKCNH2
SCHEMBL16109594 0.81 BACE1 (0.65) BACE1CTSDKCNH2

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-9725469-B2 Amino-oxazine and amino-dihydrothiazine compounds as beta-secretase modulators and methods of use AMGEN, INC. (US) 2017-08-08 US disclosed
US-20150307521-A1 AMINO-OXAZINE AND AMINO-DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2015-10-29 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-20150307521-A1 AMINO-OXAZINE AND AMINO-DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, APP, BACE2 BACE1 1/4885CTSD 2116/4885KCNH2 3083/4885

“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.