SCHEMBL8205052

SCHEMBL8205052

COc1ccc(C(C)CNC=O)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
GAA P10253 1/20 0.48
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 3/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
CYP2C19 P33261 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL16973661 0.87 ALDH1A1 (0.49) ACHECA1CA2GAAALDH1A1
SCHEMBL16973419 0.85 HPGD (0.50) ACHECA1CA2GAAALDH1A1
SCHEMBL16973617 0.82 ALDH1A1 (0.43) GAAALDH1A1LMNAMAPTKMT2A
SCHEMBL1025285 0.80 CA2 (0.51) ACHECA1CA2ALDH1A1LMNA
SCHEMBL1023514 0.80 CA2 (0.51) ACHECA1CA2ALDH1A1LMNA
SCHEMBL1023517 0.80 CA2 (0.51) ACHECA1CA2ALDH1A1LMNA
SCHEMBL7873221 0.79 ACHE (0.50) ACHECA1CA2GAAALDH1A1
Hydrochloric Acid SCHEMBL9829432 0.79 CA2 (0.50) ACHECA1CA2ALDH1A1LMNA
SCHEMBL5955077 0.79 ACHE (0.50) ACHECA1CA2ALDH1A1LMNA
SCHEMBL10842372 0.77 ACHE (0.52) ACHECA1CA2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9949966-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMAN-LA ROCHE INC. (US) 2018-04-24 US disclosed
US-9949966-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMAN-LA ROCHE INC. (US) 2018-04-24 US disclosed
US-9949966-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMAN-LA ROCHE INC. (US) 2018-04-24 US disclosed
EP-3099685-B1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2018-04-18 EP disclosed
EP-3099685-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2016-12-07 EP disclosed
US-20160296515-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-10-13 US disclosed
US-20160296515-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-10-13 US disclosed
US-20160296515-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-10-13 US disclosed
US-9458153-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-10-04 US disclosed
US-9458153-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-10-04 US disclosed
US-9458153-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-10-04 US disclosed
US-20160207914-A9 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-07-21 US disclosed
US-20160207914-A9 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-07-21 US disclosed
US-20160207914-A9 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-07-21 US disclosed
WO-2015113990-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2015-08-06 WO disclosed
US-20150210682-A1 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2015-07-30 US disclosed
US-20150210682-A1 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2015-07-30 US disclosed
US-20150210682-A1 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2015-07-30 US disclosed
US-6093851-A N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2000-07-25 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 (3 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-20150210682-A1 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HAVCR2, HCCS, DHX15 ACHE 3809/4885CA1 4852/4885CA2 4881/4885
US-20160207914-A9 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HAVCR2, HCCS, DHX15 ACHE 3809/4885CA1 4852/4885CA2 4881/4885
US-20160296515-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, HCCS, DHX15 ACHE 3809/4885CA1 4852/4885CA2 4881/4885

“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.