SCHEMBL17709291

SCHEMBL17709291

CCOC(=O)c1cn2c(cc1=O)-c1cc(OCC)c(OCC)cc1CC2CNC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
MAPT P10636 3/20 0.35
TP53 P04637 2/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 3/20 0.35
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
DYRK1A Q13627 1/20 0.33
KCNK3 O14649 1/20 0.33
NR2F2 P24468 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
POLB P06746 1/20 0.32
CYP1A2 P05177 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
SCHEMBL16930262 0.88 ACHE (0.43) ACHEMAPTTP53KDM4EALDH1A1
SCHEMBL21280070 0.88 ACHE (0.38) ACHEMAPTTP53KDM4EALDH1A1
SCHEMBL17709292 0.87 TP53 (0.42) ACHEMAPTTP53KDM4EALDH1A1
SCHEMBL17709375 0.87 ACHE (0.35) ACHEMAPTTP53KDM4EALDH1A1
SCHEMBL17709345 0.87 ACHE (0.38) ACHEMAPTTP53KDM4EALDH1A1
SCHEMBL17709336 0.86 ACHE (0.40) ACHEMAPTTP53KDM4EALDH1A1
SCHEMBL17709283 0.86 ACHE (0.42) ACHEMAPTTP53KDM4EALDH1A1
SCHEMBL16929890 0.84 KDM4E (0.45) ACHEKDM4EALDH1A1KMT2AKCNK3
SCHEMBL16930313 0.83 KDM4E (0.39) KDM4EALDH1A1KMT2AKCNK3
SCHEMBL17709408 0.83 ACHE (0.39) ACHEMAPTTP53KDM4EALDH1A1

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 8 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
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
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 2643/4885MAPT 3613/4885TP53 2145/4885

“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.