SCHEMBL17709309

SCHEMBL17709309

O=c1ccn2c(c1)-c1ccccc1CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
PKM P14618 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
CES1 P23141 1/20 0.41
CYP2A6 P11509 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
ACHE P22303 1/20 0.36
PDPK1 O15530 1/20 0.36
PARP1 P09874 1/20 0.36
PARP10 Q53GL7 1/20 0.36

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
SCHEMBL29714643 1.00 NPC1 (0.53) NPC1RAB9AKDM4EMAPTPKM
Hydrochloric Acid SCHEMBL29050604 0.98 NPC1 (0.51) NPC1RAB9AKDM4EMAPTPKM
SCHEMBL31105207 0.77 KDM4E (0.51) NPC1RAB9AKDM4EMAPTPKM
SCHEMBL1158963 0.77 KDM4E (0.51) NPC1RAB9AKDM4EMAPTPKM
SCHEMBL29521376 0.76 ACHE (0.44) ALDH1A1GAAMAOAMAOBHTR2A
SCHEMBL31105358 0.76 NPC1 (0.47) NPC1RAB9AKDM4EMAPTPKM
SCHEMBL22344204 0.75 ALDH1A1 (0.45) ALDH1A1GAAHTR2AHTR2CHTR2B
SCHEMBL30463065 0.75 ALDH1A1 (0.45) ALDH1A1GAAHTR2AHTR2CHTR2B
SCHEMBL4037463 0.75 ACHE (0.54) NPC1RAB9AKDM4EMAPTPKM
SCHEMBL29714649 0.73 ALDH1A1 (0.43) NPC1RAB9APKMALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116751200-A Tricyclic compounds containing substituted pyridones and methods of using the same 爱彼特生物制药公司 2023-09-15 CN disclosed
CN-110114071-B Tricyclic compounds containing substituted pyridones and methods of using the same 爱彼特生物制药公司 2023-07-04 CN disclosed
EP-3692040-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2022-12-28 EP disclosed
EP-3534903-B1 SUBSTITUTED PYRIDINONE-CONTAINING TRICYCLIC COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2022-08-03 EP disclosed
CN-109863145-B Novel tetrahydroisoquinoline and tetrahydronaphthyridine compounds for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2022-04-12 CN disclosed
CN-110088104-B Tetrahydropyridopyrimidine compounds for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2022-04-12 CN disclosed
CN-110088103-B Novel tetrahydropyridopyrimidine compounds for the treatment and prophylaxis of hepatitis b virus infection 豪夫迈·罗氏有限公司 2022-04-12 CN disclosed
US-11124495-B2 Tetrahydroisoquinolines and terahydronaphthyridines for the treatment of hepatitis B virus infection HOFFMANN-LA ROCHE, INC. (US) 2021-09-21 US disclosed
US-11013726-B2 Substituted pyridinone-containing trycyclic compounds, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2021-05-25 US disclosed
US-10968218-B2 Tetrahydropyridopyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2021-04-06 US disclosed
EP-3535261-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2019-09-11 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
EP-3286191-A1 NOVEL DIHYDROPYRIDOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS Galapagos NV (BE) 2018-02-28 EP disclosed
EP-3215504-A1 NOVEL 6,7-DIHYDROBENZO[A]QUINOLIZIN-2-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2017-09-13 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
WO-2016169911-A1 NOVEL DIHYDROPYRIDOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2016-10-27 WO disclosed
WO-2016071215-A1 NOVEL 6,7-DIHYDROBENZO[A]QUINOLIZIN-2-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2016-05-12 WO 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 (4 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-11124495-B2 Tetrahydroisoquinolines and terahydronaphthyridines for the treatment of hepatitis B virus infection HCCS, HAVCR2, ZC3HAV1 NPC1 1475/4885RAB9A 685/4885KDM4E 1758/4885
US-11013726-B2 Substituted pyridinone-containing trycyclic compounds, and methods using same HAVCR2, HCCS, TYMP NPC1 2178/4885RAB9A 3134/4885KDM4E 326/4885
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 NPC1 430/4885RAB9A 108/4885KDM4E 2038/4885
US-10968218-B2 Tetrahydropyridopyrimidines for the treatment and prophylaxis of hepatitis B virus infection DPYD, TPMT, TYMP NPC1 2123/4885RAB9A 2303/4885KDM4E 2653/4885

“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.