SCHEMBL4489627

SCHEMBL4489627

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.45
GRIA1 P42261 1/20 0.42
AR P10275 2/20 0.38
PBRM1 Q86U86 1/20 0.37
APP P05067 4/20 0.36
ALPL P05186 2/20 0.36
GABRG2 P18507 3/20 0.36
GABRB3 P28472 3/20 0.36
GABRA5 P31644 3/20 0.36
GABRA3 P34903 3/20 0.36
GABRA4 P48169 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRA6 Q16445 2/20 0.36
MAP3K5 Q99683 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34

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
SCHEMBL4484219 1.00 CYP19A1 (0.45) CYP19A1GRIA1ARPBRM1APP
SCHEMBL4492290 0.84 CHRNB4 (0.42) GRIA1ARALPLMEN1KMT2A
SCHEMBL5986573 0.84 CYP19A1 (0.45) CYP19A1GRIA1ARALPLHTR2A
SCHEMBL4498044 0.84 ALPL (0.46) CYP19A1GRIA1ARALPLHTR2A
SCHEMBL4495801 0.84 CYP19A1 (0.45) CYP19A1GRIA1ARALPL
SCHEMBL4485924 0.84 CYP19A1 (0.45) CYP19A1GRIA1ARALPL
SCHEMBL4489951 0.81 HTR2A (0.46) GRIA1ARALPLHTR2AHTR2C
SCHEMBL4474599 0.81 HPGD (0.40) GRIA1ARMEN1KMT2A
SCHEMBL13595225 0.81 HTR2C (0.46) CYP19A1HTR2AHTR2C
SCHEMBL4484222 0.81 KMT2A (0.46) CYP19A1GRIA1ARALPLHTR2A

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 7 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
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.