SCHEMBL4489426

SCHEMBL4489426

O=C1c2ccc(Cl)cc2OC[C@@H]2CCCN12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.47
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
AR P10275 2/20 0.41
GRM5 P41594 3/20 0.40
GRIA1 P42261 1/20 0.40
CYP19A1 P11511 1/20 0.37
CNR1 P21554 3/20 0.37
MAOB P27338 1/20 0.36
PDE4A P27815 2/20 0.35
PGR P06401 1/20 0.34
CNR2 P34972 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
SCHEMBL4483125 1.00 ALPL (0.47) ALPLHTR2AHTR2CHTR2BAR
SCHEMBL4498044 0.90 ALPL (0.46) ALPLHTR2AHTR2CHTR2BAR
SCHEMBL4477728 0.83 AR (0.44) ALPLARGRIA1CYP19A1MAOB
SCHEMBL30645613 0.81 CYP19A1 (0.42) HTR2AHTR2CHTR2BARGRIA1
SCHEMBL4474212 0.81 CYP19A1 (0.42) HTR2AHTR2CHTR2BARGRIA1
SCHEMBL4485020 0.81 CYP19A1 (0.42) HTR2AHTR2CHTR2BARGRIA1
SCHEMBL13595223 0.80 HTR2C (0.65) HTR2AHTR2CHTR2B
SCHEMBL4704066 0.80 AR (0.49) ALPLHTR2AHTR2CHTR2BAR
SCHEMBL4481975 0.80 AR (0.49) ALPLHTR2AHTR2CHTR2BAR
SCHEMBL4479705 0.80 CYP19A1 (0.47) ALPLHTR2AHTR2CHTR2BAR

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 ALPL 4303/4885HTR2A 345/4885HTR2C 267/4885
US-20080139529-A1 BENZOXAPZEPINE DERIVATIVES AND THEIR USE AS AMPA RECEPTOR STIMULATORS GRIN1, GRIA4, CHRNA4 ALPL 4457/4885HTR2A 305/4885HTR2C 312/4885

“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.