SCHEMBL2377784

SCHEMBL2377784

Nc1cccc(Br)c1OCC(=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.55
PTPN1 P18031 1/20 0.55
SMPD1 P17405 3/20 0.54
MAOB P27338 5/20 0.53
CYP19A1 P11511 1/20 0.50
SRD5A2 P31213 1/20 0.50
GPR132 Q9UNW8 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
MAOA P21397 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
FFAR1 O14842 1/20 0.46
FAAH O00519 1/20 0.45
CNR2 P34972 1/20 0.45

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
SCHEMBL12247794 0.85 PLAU (0.40) SRD5A2MRGPRX4
SCHEMBL2380880 0.85 TP53 (0.46) NR1H4
SCHEMBL2378913 0.84 NPC1 (0.44) PTPN1
SCHEMBL2379215 0.83 NPC1 (0.55)
SCHEMBL2379132 0.81 HDAC3 (0.42) CYP19A1MRGPRX4
SCHEMBL2378505 0.78 ERCC5 (0.43)
SCHEMBL2379941 0.78 NPC1 (0.42)
SCHEMBL2785216 0.78 NR4A2 (0.70) NR4A2PTPN1SMPD1MAOBCYP19A1
SCHEMBL6080995 0.77 MAOB (0.46) MAOBMAOA
SCHEMBL2503352 0.76 MAOB (0.69) NR4A2PTPN1SMPD1MAOBCYP19A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012963-B2 3,4-dihydro-2H-benzo[1,4]oxazine and thiazine derivatives as CETP inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2011-09-06 US disclosed
US-8012963-B2 3,4-dihydro-2H-benzo[1,4]oxazine and thiazine derivatives as CETP inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2011-09-06 US disclosed
US-8012963-B2 3,4-dihydro-2H-benzo[1,4]oxazine and thiazine derivatives as CETP inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2011-09-06 US disclosed
US-20100227857-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS KUO GEE-HONG 2010-09-09 US disclosed
US-20100227857-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS KUO GEE-HONG 2010-09-09 US disclosed
US-20100227857-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS KUO GEE-HONG 2010-09-09 US disclosed
US-7749995-B2 3,4-dihydro-2h-benzo[1,4]oxazine and thiazine derivatives as CETP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-07-06 US disclosed
US-7749995-B2 3,4-dihydro-2h-benzo[1,4]oxazine and thiazine derivatives as CETP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-07-06 US disclosed
EP-2023934-A2 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-02-18 EP disclosed
WO-2007134149-A2 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 WO disclosed
WO-2007134149-A2 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 WO disclosed
US-20070265252-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 US disclosed
US-20070265252-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 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-20100227857-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS CETP, MTTP, CES1 NR4A2 542/4885PTPN1 3669/4885SMPD1 451/4885
US-20070265252-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS CETP, MTTP, CES1 NR4A2 542/4885PTPN1 3669/4885SMPD1 451/4885

“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.