SCHEMBL4021287

SCHEMBL4021287

C=CCC(CC=C)CCC(C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.44
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 2/20 0.41
CYP2C19 P33261 2/20 0.39
ENPEP Q07075 1/20 0.37
ABCC4 O15439 1/20 0.32
MAPT P10636 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
BLM P54132 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL13347367 0.78 GRIK1 (0.47) CPA1GRIK1GRIK2CYP2C19ENPEP
SCHEMBL31636 0.76 GRIK1 (0.48) CPA1GRIK1GRIK2CYP2C19ABCC4
SCHEMBL10824781 0.76 TSHR (0.50) GRIK1GRIK2CYP2C19ENPEPABCC4
Lithium SCHEMBL31299623 0.74 GRIK1 (0.46) CPA1GRIK1GRIK2CYP2C19ABCC4
Ammonia Solution, Strong SCHEMBL6396419 0.74 GRIK1 (0.46) CPA1GRIK1GRIK2CYP2C19ABCC4
Potassium SCHEMBL31299609 0.74 GRIK1 (0.46) CPA1GRIK1GRIK2CYP2C19ABCC4
SCHEMBL31299617 0.74 GRIK1 (0.46) CPA1GRIK1GRIK2CYP2C19ABCC4
Acetic Acid SCHEMBL1879600 0.73 CHRM1 (0.39) CPA1GRIK1GRIK2CYP2C19SLC6A3
SCHEMBL28123 0.72 ENPEP (0.55) GRIK1GRIK2ENPEPSLC6A3TSHR
SCHEMBL5862560 0.72 ABCC4 (0.46) CPA1GRIK1GRIK2CYP2C19ENPEP

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
EP-2109604-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-10-21 EP disclosed
US-7544679-B2 6-oxo-6,7-dihydro-5h-dibenzo[b,d]azepin-7-yl derivatives HOFFMAN-LA ROCHE INC. (US) 2009-06-09 US disclosed
WO-2008092786-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 WO disclosed
US-20080188463-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-08-07 US disclosed
EP-1251122-A1 Process for the preparation of epsilon-Caprolactam DSM N.V. (NL) 2002-10-23 EP 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 (1 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-20080188463-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES BACE1, BACE2, APH1B CPA1 1428/4885GRIK1 1249/4885GRIK2 1913/4885

“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.