SCHEMBL1897385

SCHEMBL1897385

[CH2]CCCCCNC(=O)OC

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.67
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ACHE P22303 7/20 0.42
MAOA P21397 1/20 0.39
MAOB P27338 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
SCHEMBL28427280 1.00 EPHX1 (0.67) EPHX1KDM4EMAPK1HIF1ATDP1
SCHEMBL2050973 0.98 EPHX1 (0.63) EPHX1KDM4EMAPK1HIF1ATDP1
SCHEMBL2042986 0.91
SCHEMBL717081 0.89 EPHX1 (0.82) EPHX1KDM4EMAPK1HIF1ATDP1
SCHEMBL14252129 0.89 EPHX1 (0.82) EPHX1KDM4EMAPK1HIF1ATDP1
SCHEMBL7788927 0.89 EPHX1 (0.82) EPHX1KDM4EMAPK1HIF1ATDP1
SCHEMBL7788937 0.89 EPHX1 (0.82) EPHX1KDM4EMAPK1HIF1ATDP1
SCHEMBL7788569 0.89 EPHX1 (0.82) EPHX1KDM4EMAPK1HIF1ATDP1
SCHEMBL7252127 0.86 EPHX1 (0.77) EPHX1KDM4EMAPK1HIF1ATDP1
SCHEMBL23735485 0.82 EPHX1 (0.72) EPHX1KDM4EMAPK1HIF1ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3256471-B1 NOVEL 2-OXO-6,7-DIHYDROBENZO[A]QUINOLIZINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2018-12-12 EP claimed
US-10093671-B2 2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid derivatives for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2018-10-09 US claimed
EP-3256471-A1 NOVEL 2-OXO-6,7-DIHYDROBENZO[A]QUINOLIZINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2017-12-20 EP claimed
US-20170342069-A1 NOVEL 2-OXO-6, 7-DIHYDROBENZO[a]QUINOLIZINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2017-11-30 US claimed
WO-2016128335-A1 NOVEL 2-OXO-6,7-DIHYDROBENZO[A]QUINOLIZINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2016-08-18 WO claimed
EP-3256471-B1 NOVEL 2-OXO-6,7-DIHYDROBENZO[A]QUINOLIZINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2018-12-12 EP disclosed
US-10093671-B2 2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid derivatives for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2018-10-09 US disclosed
EP-3256471-A1 NOVEL 2-OXO-6,7-DIHYDROBENZO[A]QUINOLIZINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2017-12-20 EP disclosed
US-20170342069-A1 NOVEL 2-OXO-6, 7-DIHYDROBENZO[a]QUINOLIZINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2017-11-30 US disclosed
WO-2016128335-A1 NOVEL 2-OXO-6,7-DIHYDROBENZO[A]QUINOLIZINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2016-08-18 WO disclosed
EP-2325167-A1 METHOD FOR PRODUCING CARBAMATE COMPOUND Ube Industries, Ltd. (JP) 2011-05-25 EP 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 (2 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-20170342069-A1 NOVEL 2-OXO-6, 7-DIHYDROBENZO[a]QUINOLIZINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP2B6, CYP2A6 EPHX1 1032/4885KDM4E 2672/4885MAPK1 2785/4885
US-10093671-B2 2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid derivatives for the treatment and prophylaxis of hepatitis B virus infection HAVCR2, CYP2B6, CYP2A6 EPHX1 1049/4885KDM4E 2436/4885MAPK1 3258/4885

“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.