SCHEMBL4495801

SCHEMBL4495801

O=C1c2cc(F)ccc2OC[C@@H]2CCCN12

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.45
GRIA1 P42261 1/20 0.42
AR P10275 2/20 0.41
FABP6 P51161 1/20 0.40
ALPL P05186 2/20 0.38

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
SCHEMBL4485924 1.00 CYP19A1 (0.45) CYP19A1GRIA1ARFABP6ALPL
SCHEMBL4477728 0.90 AR (0.44) CYP19A1GRIA1ARALPL
SCHEMBL4472275 0.86 AR (0.45) CYP19A1GRIA1ARALPL
SCHEMBL4498044 0.84 ALPL (0.46) CYP19A1GRIA1ARALPL
SCHEMBL4492290 0.84 CHRNB4 (0.42) GRIA1ARALPL
SCHEMBL5986573 0.84 CYP19A1 (0.45) CYP19A1GRIA1ARALPL
SCHEMBL4484219 0.84 CYP19A1 (0.45) CYP19A1GRIA1ARALPL
SCHEMBL4489627 0.84 CYP19A1 (0.45) CYP19A1GRIA1ARALPL
SCHEMBL4484222 0.83 KMT2A (0.46) CYP19A1GRIA1ARALPL
SCHEMBL4489951 0.81 HTR2A (0.46) GRIA1ARALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399450-B1 BENZOXAZEPINE DERIVATIVES AND THEIR USE AS AMPA RECEPTOR STIMULATORS ORGANON NV (NL) 2008-03-19 EP claimed
US-7307073-B2 Benzoxazepines derivatives and their use as AMPA receptor stimulators N.V. ORGANON (NL) 2007-12-11 US claimed
US-20040171605-A1 Benzoxazepines derivatives and their use as ampa receptor stimulators MERCK SHARP & DOHME B.V. (NL) 2004-09-02 US claimed
US-7504390-B2 Benzoxazepine derivatives and their use as AMPA receptor stimulators N.V. ORGANON (NL) 2009-03-17 US disclosed
US-7504390-B2 Benzoxazepine derivatives and their use as AMPA receptor stimulators N.V. ORGANON (NL) 2009-03-17 US disclosed
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
US-20080139529-A1 BENZOXAPZEPINE DERIVATIVES AND THEIR USE AS AMPA RECEPTOR STIMULATORS N.V. ORGANON (NL) 2008-06-12 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
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-7307073-B2 Benzoxazepines derivatives and their use as AMPA receptor stimulators N.V. ORGANON (NL) 2007-12-11 US 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
EP-1399450-A1 BENZOXAZEPINE DERIVATIVES AND THEIR USE AS AMPA RECEPTOR STIMULATORS Akzo Nobel N.V. (NL) 2004-03-24 EP disclosed
WO-2002100865-A1 BENZOXAZEPINE DERIVATIVES AND THEIR USE AS AMPA RECEPTOR STIMULATORS AKZO NOBEL N.V. (NL) 2002-12-19 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 (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 CYP19A1 1855/4885GRIA1 19/4885AR 914/4885
US-20080139529-A1 BENZOXAPZEPINE DERIVATIVES AND THEIR USE AS AMPA RECEPTOR STIMULATORS GRIN1, GRIA4, CHRNA4 CYP19A1 795/4885GRIA1 10/4885AR 978/4885

“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.