SCHEMBL6865748

SCHEMBL6865748

CCOC(=O)CCC(O)c1ccccc1N

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP4F2 P78329 3/20 0.43
CYP4A11 Q02928 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
NLRP3 Q96P20 2/20 0.40
PPARG P37231 1/20 0.39
CASP1 P29466 1/20 0.39
PTPN1 P18031 1/20 0.39
CHEK1 O14757 1/20 0.39
LMNA P02545 1/20 0.39
CDC25B P30305 1/20 0.39

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
SCHEMBL16796779 0.85 CYP4F2 (0.45) CYP4F2CYP4A11SMN1; SMN2NLRP3PPARG
SCHEMBL5591170 0.82 CASP1 (0.55) CYP4F2CYP4A11SMN1; SMN2NLRP3PPARG
SCHEMBL2512047 0.78 CYP3A4 (0.49) ALDH1A1CYP4F2CYP4A11SMN1; SMN2PPARG
SCHEMBL6873521 0.78 ALDH1A1 (0.51) ALDH1A1CYP4F2CYP4A11SMN1; SMN2
SCHEMBL23805673 0.76 ALDH1A1 (0.43) ALDH1A1HSD17B10CYP4F2CYP4A11SMN1; SMN2
SCHEMBL10909401 0.76 TSHR (0.45) ALDH1A1HSD17B10NLRP3
SCHEMBL1645936 0.76 ALDH1A1 (0.49) ALDH1A1HSD17B10CYP4F2CYP4A11SMN1; SMN2
SCHEMBL1646939 0.76 ALDH1A1 (0.49) ALDH1A1HSD17B10CYP4F2CYP4A11SMN1; SMN2
SCHEMBL2857703 0.76 AOC3 (0.41) ALDH1A1HSD17B10SMN1; SMN2PPARGCASP1
SCHEMBL6074907 0.74 ALDH1A1 (0.54) ALDH1A1HSD17B10SMN1; SMN2CASP1LMNA

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-1399448-B1 IMIDAZO 1,5-A] PYRIMIDO 5,4-D] BENZAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2004-12-01 EP disclosed
EP-1399448-A1 IMIDAZO 1,5-A] PYRIMIDO 5,4-D] BENZAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-03-24 EP disclosed
US-6686352-B2 USEFUL AS COGNITIVE ENHANCER OR FOR THERAPY OF COGNITIVE DISORDERS LIKE ALZHEIMER'S DISEASE HOFFMANN-LA ROCHE INC. 2004-02-03 US disclosed
US-20030055042-A1 Substituted imidazo [1,5-a] pyrimido [5,4-d] [1] benzazepine derivatives F. HOFFMANN-LA ROCHE AG A SWISS COMPANY (CH) 2003-03-20 US disclosed
WO-2002094834-A1 IMIDAZO [1,5-A] PYRIMIDO [5,4-D] BENZAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-11-28 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 (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-20030055042-A1 Substituted imidazo [1,5-a] pyrimido [5,4-d] [1] benzazepine derivatives GALR1, GALR2, ADRA1A ALDH1A1 444/4885HSD17B10 1404/4885CYP4F2 2335/4885

“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.