SCHEMBL1173702

SCHEMBL1173702

CC(C)(O)[C@](C)(N)c1cc(Br)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.41
KDM1A O60341 4/20 0.35
KDM1B Q8NB78 1/20 0.35
NPC1 O15118 6/20 0.33
RAB9A P51151 6/20 0.33
ALDH1A1 P00352 5/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MEN1 O00255 1/20 0.33
APLNR P35414 4/20 0.33
LMNA P02545 5/20 0.33
GAA P10253 2/20 0.33
PTPN7 P35236 1/20 0.32
DUSP3 P51452 1/20 0.32
ALOX12 P18054 3/20 0.31
HPGD P15428 2/20 0.31
CASP3 P42574 1/20 0.31
SENP7 Q9BQF6 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
SCHEMBL1173705 1.00 DGAT1 (0.41) DGAT1KDM1AKDM1BNPC1RAB9A
SCHEMBL1973906 0.88 DGAT1 (0.38) DGAT1KDM1AKDM1BNPC1RAB9A
SCHEMBL1973910 0.88 DGAT1 (0.38) DGAT1KDM1AKDM1BNPC1RAB9A
SCHEMBL362328 0.81 PTPN7 (0.35) DGAT1KDM1APTGDR2PTPN7DUSP3
SCHEMBL1977877 0.81 PTPN7 (0.35) DGAT1KDM1APTGDR2PTPN7DUSP3
SCHEMBL360540 0.81 DGAT1 (0.41) DGAT1KDM1AKDM1BNPC1RAB9A
SCHEMBL11300627 0.81 DGAT1 (0.37) DGAT1KDM1AKDM1BPTGDR2APLNR
SCHEMBL30374570 0.81 DGAT1 (0.41) DGAT1KDM1AKDM1BNPC1RAB9A
SCHEMBL10198005 0.80 DGAT1 (0.40) DGAT1NPC1RAB9AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL12614486 0.79 DGAT1 (0.36) DGAT1KDM1AKDM1BPTGDR2APLNR

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 14 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-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-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
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
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 DGAT1 2195/4885KDM1A 2226/4885KDM1B 2056/4885
US-20120214806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP DGAT1 1954/4885KDM1A 2161/4885KDM1B 1862/4885
US-20110046122-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP DGAT1 1954/4885KDM1A 2161/4885KDM1B 1862/4885

“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.