SCHEMBL1173458

SCHEMBL1173458

O=C1COC[C@@](c2cc(Br)ccc2F)(C2CC2)N1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.40
BACE2 Q9Y5Z0 5/20 0.40
CTSD P07339 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
CMA1 P23946 1/20 0.33
AHR P35869 1/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33
AKR1A1 P14550 1/20 0.33
AKR1B1 P15121 1/20 0.33
TDP2 O95551 1/20 0.32

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
SCHEMBL1173454 1.00 BACE1 (0.40) BACE1BACE2CTSDMEN1LMNA
SCHEMBL15467521 0.84 BACE1 (0.35) BACE1BACE2CTSDMEN1LMNA
SCHEMBL15467520 0.84 BACE1 (0.35) BACE1BACE2CTSDMEN1LMNA
SCHEMBL7707967 0.84 BACE1 (0.35) BACE1BACE2CTSDMEN1LMNA
SCHEMBL1172916 0.82 BACE1 (0.39) BACE1BACE2CTSDMEN1LMNA
SCHEMBL1172914 0.82 BACE1 (0.39) BACE1BACE2CTSDMEN1LMNA
SCHEMBL361387 0.80 BACE1 (0.38) BACE1BACE2CTSDCMA1AHR
SCHEMBL361386 0.80 BACE1 (0.38) BACE1BACE2CTSDCMA1AHR
SCHEMBL1173442 0.79 BACE1 (0.39) BACE1BACE2CTSDCMA1AHR
SCHEMBL1173165 0.79 BACE1 (0.39) BACE1BACE2CTSDCMA1AHR

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-20130196984-A1 3-AMINO-5-PHENYL-56-DIHYDRO-2H-[1,4]OXAZINES SIENA BIOTECH S.P.A. (IT) 2013-08-01 US disclosed
US-20120214806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES ANDREINI MATTEO (IT) 2012-08-23 US disclosed
US-8188079-B2 3-amino-5-phenyl-5,6-dihydro-2H-[1,4]oxazines HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-20110046122-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES SIENA BIOTECH S.P.A. (IT) 2011-02-24 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 (3 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-20130196984-A1 3-AMINO-5-PHENYL-56-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP BACE1 2/4885BACE2 1/4885CTSD 834/4885
US-20120214806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP BACE1 2/4885BACE2 1/4885CTSD 699/4885
US-20110046122-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP BACE1 2/4885BACE2 1/4885CTSD 699/4885

“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.