SCHEMBL499294

SCHEMBL499294

CN(C)CCN1CCOc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.48
NOS1 P29475 2/20 0.48
NOS2 P35228 2/20 0.48
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
DRD1 P21728 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A4 P31645 1/20 0.44
DRD3 P35462 1/20 0.44
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
CHRNB4 P30926 4/20 0.39
CHRNA3 P32297 4/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL499016 0.91 NOS3 (0.48) NOS3NOS1NOS2CHRM2HTR1A
SCHEMBL499426 0.89 NOS3 (0.42) NOS3NOS1NOS2CHRM2HTR1A
SCHEMBL499425 0.89 NOS3 (0.42) NOS3NOS1NOS2CHRM2HTR1A
SCHEMBL25607649 0.86 CHRM2 (0.51) NOS3NOS1NOS2CHRM2HTR1A
SCHEMBL499648 0.83 NOS3 (0.39) NOS3NOS1NOS2CHRM2HTR1A
SCHEMBL8265264 0.82 REN (0.50) CHRM2HTR1AADRA2ADRD1PTGS1
SCHEMBL10265564 0.82 SIGMAR1 (0.42) NOS3NOS1NOS2CHRNB4CHRNA3
SCHEMBL23455368 0.81 MAPT (0.40) PIK3CDPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL30781048 0.81 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CGCHRNB4
SCHEMBL6427738 0.81 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CGCHRNB4

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140163016-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2014-06-12 US disclosed
US-20140163016-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2014-06-12 US disclosed
US-20140163016-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2014-06-12 US disclosed
US-8618286-B2 Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2013-12-31 US disclosed
US-20120122855-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2012-05-17 US disclosed
US-20120122855-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2012-05-17 US disclosed
US-20120122855-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2012-05-17 US disclosed
US-8106043-B2 Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2012-01-31 US disclosed
US-8106043-B2 Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2012-01-31 US disclosed
US-8106043-B2 Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2012-01-31 US disclosed
US-20100009975-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2010-01-14 US disclosed
WO-2010000073-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2010-01-07 WO disclosed
WO-2010000073-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2010-01-07 WO disclosed
EP-1019412-A1 BIPHENYL(THIO)AMIDE AND BIPHENYLETHAN(THI)ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT 1D? RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-07-19 EP disclosed
US-5972935-A Biphenyl(thio)amide and bipennylethan(thi) one derivatives, their preparation and their use as 5-HT1D receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 1999-10-26 US disclosed
US-5623027-A WEATHERPROOFING MORTON INTERNATIONAL, INC. (US) 1997-04-22 US disclosed
WO-1997007120-A9 BIPHENYL(THIO)AMIDE AND BIPHENYLETHAN(THI)ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT1D RECEPTOR ANTAGONISTS 1997-04-03 WO disclosed
EP-0763034-A1 AMIDE DERIVATIVES HAVING 5HT1D-ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1997-03-19 EP disclosed
WO-1997007120-A1 BIPHENYL(THIO)AMIDE AND BIPHENYLETHAN(THI)ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-02-27 WO disclosed
WO-1995032967-A1 AMIDE DERIVATIVES HAVING 5HT1D-ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-12-07 WO 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-20100009975-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 NOS3 3/4885NOS1 2/4885NOS2 1/4885
US-20120122855-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 NOS3 3/4885NOS1 2/4885NOS2 1/4885
US-20140163016-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 NOS3 3/4885NOS1 2/4885NOS2 1/4885

“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.