SCHEMBL17709336

SCHEMBL17709336

CCOC(=O)c1cn2c(cc1=O)-c1cc(OCC)c(OCC)cc1CC2COC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
KCNK3 O14649 1/20 0.34
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
BAZ2B Q9UIF8 1/20 0.32

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
SCHEMBL17709287 0.92 ACHE (0.40) ACHEKDM4EALDH1A1KMT2AHSD17B10
SCHEMBL16930262 0.90 ACHE (0.43) ACHETP53MAPTKDM4EALDH1A1
SCHEMBL17709283 0.88 ACHE (0.42) ACHETP53MAPTKDM4EALDH1A1
SCHEMBL17709291 0.86 ACHE (0.39) ACHETP53MAPTKDM4EALDH1A1
SCHEMBL16929890 0.86 KDM4E (0.45) ACHEKDM4EALDH1A1KMT2AKCNK3
SCHEMBL17709408 0.84 ACHE (0.39) ACHETP53MAPTKDM4EALDH1A1
SCHEMBL16930255 0.84 ACHE (0.47) ACHETP53MAPTKDM4EALDH1A1
SCHEMBL21280070 0.83 ACHE (0.38) ACHETP53MAPTKDM4EALDH1A1
SCHEMBL16980736 0.83 ACHE (0.39) ACHETP53MAPTKDM4EALDH1A1
SCHEMBL17709345 0.83 ACHE (0.38) ACHETP53MAPTKDM4EALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215504-B1 6,7-DIHYDROBENZO[A]QUINOLIZIN-2-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2019-08-21 EP disclosed
EP-3215504-B1 6,7-DIHYDROBENZO[A]QUINOLIZIN-2-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2019-08-21 EP disclosed
EP-3215504-A1 NOVEL 6,7-DIHYDROBENZO[A]QUINOLIZIN-2-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2017-09-13 EP disclosed
US-9637485-B2 6,7-dihydrobenzo[a]quinolizin-2-one derivatives for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2017-05-02 US disclosed
US-9637485-B2 6,7-dihydrobenzo[a]quinolizin-2-one derivatives for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2017-05-02 US disclosed
US-9637485-B2 6,7-dihydrobenzo[a]quinolizin-2-one derivatives for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2017-05-02 US disclosed
WO-2016071215-A1 NOVEL 6,7-DIHYDROBENZO[A]QUINOLIZIN-2-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2016-05-12 WO disclosed
US-20160122344-A1 Novel 6,7-dihydrobenzo[a]quinolizin-2-one derivatives for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-05-05 US disclosed
US-20160122344-A1 Novel 6,7-dihydrobenzo[a]quinolizin-2-one derivatives for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-05-05 US disclosed
US-20160122344-A1 Novel 6,7-dihydrobenzo[a]quinolizin-2-one derivatives for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-05-05 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-20160122344-A1 Novel 6,7-dihydrobenzo[a]quinolizin-2-one derivatives for the treatment and prophylaxis of hepatitis B virus infection HAVCR2, SLC10A1, CYP2D6 ACHE 2643/4885TP53 2145/4885MAPT 3613/4885

“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.