SCHEMBL17709274

SCHEMBL17709274

CCOc1cc2c(cc1OCC)-c1cc(=O)c(C(=O)O)cn1C(CN1CCCC1)C2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
CYP2B6 P20813 1/20 0.39
TENT4A Q5XG87 1/20 0.39
TENT4B Q8NDF8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL17709408 0.92 ACHE (0.39) ACHEHRH3HSD17B10
SCHEMBL16942329 0.89 ACHE (0.44) ACHECYP2B6TENT4ATENT4BTSHR
SCHEMBL16942330 0.89 ACHE (0.44) ACHECYP2B6TENT4ATENT4BTSHR
SCHEMBL16929820 0.89 ACHE (0.44) ACHECYP2B6TENT4ATENT4BTSHR
SCHEMBL17709330 0.88 ACHE (0.43) ACHECYP2B6TENT4ATENT4BTSHR
SCHEMBL17709317 0.87 ACHE (0.43) ACHECYP2B6TENT4ATENT4BTSHR
SCHEMBL17709305 0.87 ACHE (0.38) ACHECYP2B6TENT4ATENT4BHSD17B10
SCHEMBL16942345 0.85 CYP2B6 (0.43) ACHECYP2B6TENT4ATENT4B
SCHEMBL16929874 0.85 CYP2B6 (0.43) ACHECYP2B6TENT4ATENT4B
SCHEMBL16942343 0.85 CYP2B6 (0.43) ACHECYP2B6TENT4ATENT4B

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
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 claimed
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 claimed
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 2643/4885CYP2B6 5/4885TENT4A 4587/4885

“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.