SCHEMBL4484613

SCHEMBL4484613

O=C1c2cc([N+](=O)[O-])ccc2OC[C@H]2CCCN12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.48
CHRNA3 P32297 4/20 0.48
ACHE P22303 3/20 0.39
GRIA1 P42261 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
PTPRC P08575 1/20 0.37
S100A4 P26447 1/20 0.37
CASP1 P29466 1/20 0.36
CASP3 P42574 1/20 0.36
CASP4 P49662 1/20 0.36
CASP7 P55210 1/20 0.36
CASP9 P55211 1/20 0.36
CASP6 P55212 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
SCHEMBL4491493 1.00 CHRNB4 (0.48) CHRNB4CHRNA3ACHEGRIA1SIRT2
SCHEMBL7237974 0.81 SIRT2 (0.44) CHRNB4CHRNA3ACHESIRT2MEN1
SCHEMBL2062819 0.81 CHRNB4 (0.41) CHRNB4CHRNA3ACHESIRT2ALDH1A1
SCHEMBL2791701 0.81 CHRNB4 (0.51) CHRNB4CHRNA3SIRT2ALDH1A1AR
SCHEMBL13681596 0.81 CHRNB4 (0.51) CHRNB4CHRNA3SIRT2ALDH1A1AR
SCHEMBL5122957 0.81 CHRNB4 (0.51) CHRNB4CHRNA3SIRT2ALDH1A1AR
SCHEMBL31562963 0.80 GRIA1 (0.55) CHRNB4CHRNA3ACHEGRIA1MEN1
SCHEMBL4498044 0.80 ALPL (0.46) GRIA1AR
SCHEMBL5986573 0.80 CYP19A1 (0.45) GRIA1MEN1KMT2AAR
SCHEMBL4492290 0.80 CHRNB4 (0.42) CHRNB4CHRNA3GRIA1MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504390-B2 Benzoxazepine derivatives and their use as AMPA receptor stimulators N.V. ORGANON (NL) 2009-03-17 US disclosed
US-20080139529-A1 BENZOXAPZEPINE DERIVATIVES AND THEIR USE AS AMPA RECEPTOR STIMULATORS N.V. ORGANON (NL) 2008-06-12 US disclosed
EP-1399450-B1 BENZOXAZEPINE DERIVATIVES AND THEIR USE AS AMPA RECEPTOR STIMULATORS ORGANON NV (NL) 2008-03-19 EP disclosed
US-7307073-B2 Benzoxazepines derivatives and their use as AMPA receptor stimulators N.V. ORGANON (NL) 2007-12-11 US disclosed
US-20040171605-A1 Benzoxazepines derivatives and their use as ampa receptor stimulators MERCK SHARP & DOHME B.V. (NL) 2004-09-02 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-20040171605-A1 Benzoxazepines derivatives and their use as ampa receptor stimulators CHRNA4, CHRNA10, CHRNA9 CHRNB4 43/4885CHRNA3 21/4885ACHE 1392/4885
US-20080139529-A1 BENZOXAPZEPINE DERIVATIVES AND THEIR USE AS AMPA RECEPTOR STIMULATORS GRIN1, GRIA4, CHRNA4 CHRNB4 50/4885CHRNA3 34/4885ACHE 1529/4885

“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.