SCHEMBL6922832

SCHEMBL6922832

C[C@@]1(c2cccc(N)c2)COCC(=O)N1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.35
DDB1 Q16531 5/20 0.35
CRBN Q96SW2 5/20 0.35
CYP19A1 P11511 1/20 0.35
KCNH2 Q12809 1/20 0.33
TDP2 O95551 1/20 0.33
LDHA P00338 1/20 0.32
LDHB P07195 1/20 0.32
AKR1B1 P15121 1/20 0.31
RAF1 P04049 1/20 0.31
BRAF P15056 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31

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
SCHEMBL1173213 1.00 BACE1 (0.35) BACE1DDB1CRBNCYP19A1KCNH2
SCHEMBL1173211 1.00 BACE1 (0.35) BACE1DDB1CRBNCYP19A1KCNH2
Hydrochloric Acid SCHEMBL1173280 0.99 BACE1 (0.35) BACE1DDB1CRBNCYP19A1KCNH2
Hydrochloric Acid SCHEMBL1173412 0.99 BACE1 (0.35) BACE1DDB1CRBNCYP19A1KCNH2
Hydrochloric Acid SCHEMBL1173279 0.99 BACE1 (0.35) BACE1DDB1CRBNCYP19A1KCNH2
SCHEMBL11894554 0.83 HCAR3 (0.39) BACE1
SCHEMBL1173469 0.83 CHRNA1 (0.42) BACE1TDP2
SCHEMBL1172911 0.83 BACE1 (0.34) BACE1KCNH2BACE2
SCHEMBL11894553 0.83 HCAR3 (0.39) BACE1
SCHEMBL1172909 0.83 BACE1 (0.34) BACE1KCNH2BACE2

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 9 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-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-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-8188079-B2 3-amino-5-phenyl-5,6-dihydro-2H-[1,4]oxazines HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
WO-2011020806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-02-24 WO 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
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 2/4885DDB1 2495/4885CRBN 3759/4885
US-20120214806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP BACE1 2/4885DDB1 2789/4885CRBN 3808/4885
US-20110046122-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP BACE1 2/4885DDB1 2789/4885CRBN 3808/4885

“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.