SCHEMBL8211474

SCHEMBL8211474

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.39
OPRK1 P41145 6/20 0.39
PARP1 P09874 5/20 0.39
TDP2 O95551 1/20 0.38
OPRD1 P41143 4/20 0.37
BACE1 P56817 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL8218970 1.00 OPRM1 (0.39) OPRM1OPRK1PARP1TDP2OPRD1
SCHEMBL11894391 0.88 RAB9A (0.37) TDP2
SCHEMBL8220177 0.86 OPRM1 (0.39) OPRM1OPRK1PARP1OPRD1BACE1
SCHEMBL8220889 0.86 OPRM1 (0.39) OPRM1OPRK1PARP1OPRD1BACE1
SCHEMBL1173213 0.81 BACE1 (0.35) TDP2BACE1KCNH2
SCHEMBL6922832 0.81 BACE1 (0.35) TDP2BACE1KCNH2
SCHEMBL1173211 0.81 BACE1 (0.35) TDP2BACE1KCNH2
Hydrochloric Acid SCHEMBL1173280 0.80 BACE1 (0.35) TDP2BACE1KCNH2
Hydrochloric Acid SCHEMBL1173279 0.80 BACE1 (0.35) TDP2BACE1KCNH2
Hydrochloric Acid SCHEMBL1173412 0.80 BACE1 (0.35) TDP2BACE1KCNH2

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.