SCHEMBL2404037

SCHEMBL2404037

CCC(N)Cc1ccc(OC)c(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.56
CA2 P00918 1/20 0.55
SIGMAR1 Q99720 8/20 0.53
KDM4E B2RXH2 1/20 0.53
ATM Q13315 1/20 0.53
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
CYP19A1 P11511 1/20 0.50
AOC3 Q16853 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
SLC6A4 P31645 1/20 0.47

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
SCHEMBL10842397 1.00 LDHA (0.56) LDHACA2SIGMAR1KDM4EATM
SCHEMBL16929911 0.90 SIGMAR1 (0.55) LDHACA2SIGMAR1KDM4E
SCHEMBL16929861 0.88 SIGMAR1 (0.63) LDHASIGMAR1PPARDPPARA
SCHEMBL16930229 0.86 SIGMAR1 (0.69) LDHACA2SIGMAR1KDM4EATM
SCHEMBL16930335 0.86 SIGMAR1 (0.56) LDHACA2SIGMAR1KDM4EATM
SCHEMBL10437147 0.86 KDM4E (0.58) LDHACA2SIGMAR1KDM4EATM
SCHEMBL16973665 0.85 SIGMAR1 (0.58) SIGMAR1
SCHEMBL16930066 0.85 MAPT (0.47) SIGMAR1KDM4EALDH1A1SLC6A4
SCHEMBL16929994 0.85 TAAR1 (0.50) LDHASIGMAR1SLC6A4
SCHEMBL7298435 0.84 LDHA (0.58) LDHACA2SIGMAR1KDM4EATM

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3143020-B1 DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2019-08-21 EP disclosed
EP-3143020-B1 DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2019-08-21 EP disclosed
CN-106459032-B Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection 豪夫迈·罗氏有限公司 2019-04-05 CN 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
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
US-9920049-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMAN-LA ROCHE INC. (US) 2018-03-20 US disclosed
US-9920049-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMAN-LA ROCHE INC. (US) 2018-03-20 US disclosed
US-9920049-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMAN-LA ROCHE INC. (US) 2018-03-20 US disclosed
WO-2015173164-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2015-11-19 WO 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
CN-102164896-A Phenethylamide derivatives and their heterocyclic analogues ACTELION PHARMACEUTICALS LTD 2011-08-24 CN disclosed
US-5840981-A CATALYTICALLY HYDROGENATING 3,4-DIMETHOXYPHENYLACETONITRILE WITH A METHYLAMINE BASF AKTIENGESELLSCHAFT (DE) 1998-11-24 US disclosed
WO-1997038692-A1 BISINDOLES FOR TREATING PAIN OR NOCICEPTION ELI LILLY AND COMPANY (US) 1997-10-23 WO disclosed
US-4581172-A Substituted pyrimido[6,1-a]isoquinolin-4-ones,pyrimido[6,1-a]benzozepin-4-ones and pyrimido[6,1-a]benzodiazepin-4-ones useful for prevention of thromboses and treating hypertension HOFFMANN-LA ROCHE INC. (US) 1986-04-08 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 (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-20150210682-A1 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HAVCR2, HCCS, DHX15 LDHA 1933/4885CA2 4881/4885SIGMAR1 1670/4885
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 LDHA 1395/4885CA2 985/4885SIGMAR1 108/4885

“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.