SCHEMBL7317890

SCHEMBL7317890

CCCOc1ccc(CCN)cc1OCCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KDM4E B2RXH2 2/20 0.58
ATM Q13315 2/20 0.58
CSNK2A1 P68400 2/20 0.54
BIRC5 O15392 1/20 0.51
TAAR1 Q96RJ0 3/20 0.50
TSHR P16473 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
CASP1 P29466 1/20 0.50
HTT P42858 1/20 0.50
CASP7 P55210 1/20 0.50

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
SCHEMBL2742569 0.92 KDM4E (0.72) GLASMN1; SMN2KDM4EATMCSNK2A1
SCHEMBL8000030 0.91 GLA (0.72) GLASMN1; SMN2KDM4EATMCSNK2A1
SCHEMBL5690757 0.88 GLA (0.64) GLASMN1; SMN2KDM4EATMBIRC5
Hydrochloric Acid SCHEMBL11691494 0.87 GLA (0.67) GLASMN1; SMN2KDM4EATMBIRC5
SCHEMBL15762041 0.86 SMN1; SMN2 (0.53) GLASMN1; SMN2KDM4EATMCSNK2A1
SCHEMBL2845384 0.85 KDM4E (0.61) GLASMN1; SMN2KDM4EATMBIRC5
SCHEMBL23309945 0.85 TSHR (0.66) GLASMN1; SMN2KDM4EATMCSNK2A1
SCHEMBL12071540 0.83 KDM4E (0.70) GLASMN1; SMN2KDM4EATMTAAR1
SCHEMBL15800866 0.83 KDM4E (0.70) GLASMN1; SMN2KDM4EATMTAAR1
SCHEMBL7989079 0.82 KDM4E (0.68) GLASMN1; SMN2KDM4EATMTAAR1

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 25 patents — showing the first 20. 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-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-6136819-A COMPOUNDS FOR ANTIINFLAMMATORY AGENTS OR CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM GMBH (DE) 2000-10-24 US disclosed
US-5968948-A FOR TREATMENT OF EPILEPSY, STROKE, ALZHEIMER'S DISEASE, BRAIN DISEASES OR AS ANTIINFLAMMATORY OR ANTIPROLIFERATIVE AGENTS BOERHINGER INGELHEIM GMBH (DE) 1999-10-19 US disclosed
US-5661157-A Annelated dihydropyridines and the use thereof for preparing pharmaceutical preparations BOEHRINGER INGELHEIM KG (DE) 1997-08-26 US disclosed
EP-0170524-B1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-07-15 EP disclosed
US-4968698-A FUNGICIDES, ANTIPROTOZOA AGENTS BURROUGHS WELLCOME CO. (US) 1990-11-06 US disclosed
EP-0170524-A2 Nitrogen containing heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1986-02-05 EP disclosed
US-4442108-A SPASMOLYTIC, HYPOTENSIVE LABORATOIRES SOBIO S.A. OF IMMEUBLE PERISUD (FR) 1984-04-10 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 GLA 3784/4885SMN1; SMN2 4490/4885KDM4E 738/4885
US-20160296515-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, HCCS, DHX15 GLA 3784/4885SMN1; SMN2 4490/4885KDM4E 738/4885

“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.