SCHEMBL8220177

SCHEMBL8220177

CC1(c2cccc(C(N)=O)c2)COCC(=S)N1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.39
OPRK1 P41145 5/20 0.39
PARP1 P09874 7/20 0.38
OPRD1 P41143 3/20 0.37
BACE1 P56817 2/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL8220889 1.00 OPRM1 (0.39) OPRM1OPRK1PARP1OPRD1BACE1
SCHEMBL8211474 0.86 OPRM1 (0.39) OPRM1OPRK1PARP1OPRD1BACE1
SCHEMBL8218970 0.86 OPRM1 (0.39) OPRM1OPRK1PARP1OPRD1BACE1
SCHEMBL1172909 0.80 BACE1 (0.34) BACE1
SCHEMBL1172911 0.80 BACE1 (0.34) BACE1
SCHEMBL14855694 0.78 CHRNA1 (0.42) BACE1
SCHEMBL360804 0.78 CHRNA1 (0.42) BACE1
SCHEMBL15467723 0.75 OPRM1 (0.42) OPRM1OPRK1PARP1OPRD1
SCHEMBL14760383 0.75 OPRM1 (0.42) OPRM1OPRK1PARP1OPRD1
SCHEMBL11894391 0.74 RAB9A (0.37)

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
EP-2467368-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-06-27 EP 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 OPRM1 2798/4885OPRK1 1761/4885PARP1 2106/4885
US-20120214806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP OPRM1 2784/4885OPRK1 1752/4885PARP1 2377/4885

“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.