SCHEMBL6396362

SCHEMBL6396362

O=C(c1ccoc1)C1CNCC[N]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
PTPN11 Q06124 1/20 0.36
MAPT P10636 2/20 0.34
TMIGD3 P0DMS9 1/20 0.33
ADORA1 P30542 1/20 0.33
TRPA1 O75762 1/20 0.32
CYP3A4 P08684 1/20 0.31
MEN1 O00255 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 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
SCHEMBL2569683 0.78 KMT2A (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1853130 0.73 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL10769591 0.73 CES2 (0.41) HPGD
SCHEMBL2011472 0.69 CYP2D6 (0.35) MAPTMEN1CYP1A2KMT2ACYP2D6
SCHEMBL3553231 0.69 NPC1 (0.36) KMT2AKDM4EALDH1A1RAB9ANPC1
SCHEMBL844367 0.68 CES2 (0.41) MAPTCYP3A4MEN1CYP1A2CYP2C19
SCHEMBL844809 0.68 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3559018 0.68 CES2 (0.41) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL9669497 0.67 CHRNA4 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6002246 0.67 SLC6A4 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032795-A1 2-Amino-benzoxazinones for the treatment of herpes simplex virus G.D. SEARLE & CO. (US) 2005-02-10 US claimed
EP-0083315-B1 PYRIDYL-N-OXIDES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1987-07-29 EP claimed
US-4497808-A N-Oxide compounds useful in the treatment of cardiovascular ailments CIBA-GEIGY CORPORATION (US) 1985-02-05 US claimed
EP-0111453-A1 Amide derivatives CIBA-GEIGY AG (CH) 1984-06-20 EP claimed
EP-0111455-A2 Unsaturated lactones CIBA-GEIGY AG (CH) 1984-06-20 EP claimed
EP-0083315-A2 Pyridyl-N-oxides, processes for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1983-07-06 EP claimed
US-20050032795-A1 2-Amino-benzoxazinones for the treatment of herpes simplex virus G.D. SEARLE & CO. (US) 2005-02-10 US disclosed
US-6806269-B1 EFFECTIVE AT LOWER CONCENTRATIONS; SUCH AS 6-(((1,1-DIMETHYL-ETHOXY)CARBONYL)AMINO)-5-METHYL-2-(METHYL(PHENYLMETHYL) -AMINO)-4H-3,1-BENZOXAZIN-4-ONE G. D. SEARLE & COP 2004-10-19 US disclosed
EP-1210088-A4 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF HERPES SIMPLEX VIRUS SEARLE & CO (US) 2003-03-12 EP disclosed
EP-1210088-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF HERPES SIMPLEX VIRUS G.D. SEARLE & CO. (US) 2002-06-05 EP disclosed
WO-2001003697-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF HERPES SIMPLEX VIRUS G.D. SEARLE & CO. (US) 2001-01-18 WO disclosed
EP-0083315-B1 PYRIDYL-N-OXIDES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1987-07-29 EP disclosed
US-4616015-A HYPOTENSIVE AGENT, ANTULCER AGENT, ANTICOAGULANT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-07 US disclosed
US-4497808-A N-Oxide compounds useful in the treatment of cardiovascular ailments CIBA-GEIGY CORPORATION (US) 1985-02-05 US disclosed
EP-0061673-B1 ISOQUINOLINESULFONYL DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-10-24 EP disclosed
EP-0122627-A2 Triazine derivatives, processes for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-24 EP disclosed
US-4456757-A MUSCLE RELAXANTS, VASODILATORS, HYPOTENSIVE AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-06-26 US disclosed
EP-0111453-A1 Amide derivatives CIBA-GEIGY AG (CH) 1984-06-20 EP disclosed
EP-0111455-A2 Unsaturated lactones CIBA-GEIGY AG (CH) 1984-06-20 EP disclosed
EP-0083315-A2 Pyridyl-N-oxides, processes for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1983-07-06 EP 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 (1 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-20050032795-A1 2-Amino-benzoxazinones for the treatment of herpes simplex virus GABBR1, GABBR2, EBNA1BP2 CHRNB2 2650/4885CHRNB4 2692/4885CHRNA3 2659/4885

“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.