SCHEMBL6865172

SCHEMBL6865172

CCOC(=O)CCC(=O)c1ccccc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
HSD17B10 Q99714 6/20 0.63
TSHR P16473 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
ABCB1 P08183 1/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
CFTR P13569 1/20 0.46
CDC25B P30305 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL31520096 1.00 ALDH1A1 (0.63) ALDH1A1HSD17B10TSHRSMN1; SMN2ABCB1
SCHEMBL28626433 0.85 ALDH1A1 (0.65) ALDH1A1HSD17B10TSHRSMN1; SMN2KDM4E
SCHEMBL9375306 0.83 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRKDM4ECFTR
SCHEMBL3949459 0.83 CTNNB1 (0.54) ALDH1A1HSD17B10TSHRSMN1; SMN2ABCB1
SCHEMBL9737218 0.82 SMN1; SMN2 (0.53) ALDH1A1HSD17B10TSHRSMN1; SMN2ABCB1
SCHEMBL13962647 0.82 CYP4F2 (0.55) ALDH1A1HSD17B10TSHRSMN1; SMN2ABCB1
SCHEMBL9348474 0.82 TSHR (0.50) ALDH1A1HSD17B10TSHRSMN1; SMN2ABCB1
SCHEMBL9374658 0.82 TSHR (0.70) ALDH1A1HSD17B10TSHRSMN1; SMN2ABCB1
SCHEMBL15778916 0.81 TSHR (0.49) ALDH1A1HSD17B10TSHRSMN1; SMN2ABCB1
SCHEMBL26673364 0.81 CTNNB1 (0.51) ALDH1A1TSHRSMN1; SMN2ABCB1KDM4E

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
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
US-4788204-A TRANQUILIZERS; ANTICONVULSANTS; ANGINA AND IMMUNODIFICIENCY TREATMENTS RHONE-POULENC SANTE (FR) 1988-11-29 US disclosed
US-4788199-A ANXIOLYTICS, ANTICONVULSANTS, ANTIANGINA AGENTS RHONE-POULENC SANTE (FR) 1988-11-29 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 (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 1404/4885TSHR 368/4885

“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.