SCHEMBL8216347

SCHEMBL8216347

NC(=O)c1ccc(F)c([C@@]2(C3CC3)COCC(=S)N2)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.36
KDM1A O60341 2/20 0.33
TSHR P16473 1/20 0.33
IP6K1 Q92551 1/20 0.32
MAPK14 Q16539 2/20 0.31
BACE2 Q9Y5Z0 4/20 0.31
OPRM1 P35372 1/20 0.31
MPL P40238 1/20 0.31
PDK2 Q15119 1/20 0.30

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
SCHEMBL8216343 1.00 BACE1 (0.36) BACE1KDM1ATSHRIP6K1MAPK14
SCHEMBL14760385 0.85 KDM1A (0.35) BACE1KDM1ATSHRMPLPDK2
SCHEMBL14760386 0.85 KDM1A (0.35) BACE1KDM1ATSHRMPLPDK2
SCHEMBL1172939 0.82 BACE1 (0.36) BACE1BACE2
SCHEMBL1172943 0.82 BACE1 (0.36) BACE1BACE2
SCHEMBL1173171 0.73 BACE1 (0.57) BACE1BACE2
SCHEMBL8209618 0.72 BACE1 (0.48) BACE1BACE2
SCHEMBL8216341 0.72 BACE1 (0.48) BACE1BACE2
SCHEMBL14759793 0.70 BACE1 (0.36) BACE1KDM1ATSHROPRM1MPL
SCHEMBL1173458 0.68 BACE1 (0.40) BACE1BACE2

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 3 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

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-20130196984-A1 3-AMINO-5-PHENYL-56-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP BACE1 2/4885KDM1A 2226/4885TSHR 4865/4885
US-20120214806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP BACE1 2/4885KDM1A 2161/4885TSHR 4855/4885

“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.