SCHEMBL4479705

SCHEMBL4479705

COc1ccc2c(c1)OC[C@@H]1CCCN1C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.47
HTR2C P28335 3/20 0.46
HTR2A P28223 2/20 0.46
HTR2B P41595 2/20 0.46
ALPL P05186 2/20 0.43
GRM5 P41594 2/20 0.42
MAPT P10636 4/20 0.42
CYP3A4 P08684 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MPI P34949 1/20 0.41
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
KDM2B Q8NHM5 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL7631937 0.81 GRIA1 (0.56) CYP19A1HTR2CHTR2AHTR2BCYP3A4
SCHEMBL7631933 0.81 GRIA1 (0.56) CYP19A1HTR2CHTR2AHTR2BCYP3A4
SCHEMBL4477728 0.80 AR (0.44) CYP19A1ALPLMAOBAR
SCHEMBL4483125 0.80 ALPL (0.47) CYP19A1HTR2CHTR2AHTR2BALPL
SCHEMBL4489426 0.80 ALPL (0.47) CYP19A1HTR2CHTR2AHTR2BALPL
SCHEMBL4474212 0.78 CYP19A1 (0.42) CYP19A1HTR2CHTR2AHTR2BMEN1
SCHEMBL30645613 0.78 CYP19A1 (0.42) CYP19A1HTR2CHTR2AHTR2BMEN1
SCHEMBL4485020 0.78 CYP19A1 (0.42) CYP19A1HTR2CHTR2AHTR2BMEN1
SCHEMBL4481975 0.77 AR (0.49) HTR2CHTR2AHTR2BALPLMAPT
SCHEMBL4704066 0.77 AR (0.49) HTR2CHTR2AHTR2BALPLMAPT

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 CYP19A1 1855/4885HTR2C 267/4885HTR2A 345/4885
US-20080139529-A1 BENZOXAPZEPINE DERIVATIVES AND THEIR USE AS AMPA RECEPTOR STIMULATORS GRIN1, GRIA4, CHRNA4 CYP19A1 795/4885HTR2C 312/4885HTR2A 305/4885

“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.