SCHEMBL19642414

SCHEMBL19642414

N[C@H]1CCN(c2ccc3c(=O)c4cccc(F)c4oc3c2)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 1/20 0.40
▸ HTR6 P50406 7/20 0.39
▸ HTR2B P41595 5/20 0.39
▸ HTR1A P08908 2/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ CHRNA7 P36544 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ HRH4 Q9H3N8 2/20 0.36
▸ NEK1 Q96PY6 1/20 0.36
▸ TOP2A P11388 5/20 0.35
▸ TOP2B Q02880 3/20 0.35
▸ HTR7 P34969 1/20 0.35

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
SCHEMBL19642412 1.00 KHK (0.40) KHKHTR6HTR2BHTR1ADRD2
SCHEMBL19662153 1.00 KHK (0.40) KHKHTR6HTR2BHTR1ADRD2
SCHEMBL19642240 0.87 LOXL2 (0.45) MAOACHRNA7KCNH2
SCHEMBL19642317 0.87 LOXL2 (0.45) MAOACHRNA7KCNH2
SCHEMBL19642244 0.87 LOXL2 (0.45) MAOACHRNA7KCNH2
SCHEMBL19662373 0.87 MAOA (0.38) HTR6HTR1AMAOACHRNA7KCNH2
SCHEMBL29548284 0.87 LOXL2 (0.45) MAOACHRNA7KCNH2
SCHEMBL23507787 0.85 MAOA (0.36) HTR6HTR1AMAOACHRNA7KCNH2
SCHEMBL19642415 0.84 MAOA (0.40) HTR6HTR1AMAOACHRNA7KCNH2
SCHEMBL19641810 0.84 NOTUM (0.50) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311860-B Xanthone derivatives for the treatment or prevention of hepatitis B virus diseases 豪夫迈·罗氏有限公司 2022-04-08 — — CN claimed
EP-3464278-B1 XANTHONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN LA ROCHE (CH) 2021-06-16 — — EP claimed
US-10611748-B2 Xanthone derivatives for the treatment of hepatitis B virus disease HOFFMANN-LA ROCHE INC. (US) 2020-04-07 — — US claimed
US-20190185444-A1 XANTHONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2019-06-20 — — US claimed
CN-109311860-B Xanthone derivatives for the treatment or prevention of hepatitis B virus diseases 豪夫迈·罗氏有限公司 2022-04-08 — — CN disclosed
EP-3464278-B1 XANTHONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN LA ROCHE (CH) 2021-06-16 — — EP disclosed
EP-3464278-B1 XANTHONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN LA ROCHE (CH) 2021-06-16 — — EP disclosed
US-10611748-B2 Xanthone derivatives for the treatment of hepatitis B virus disease HOFFMANN-LA ROCHE INC. (US) 2020-04-07 — — US disclosed
US-20190185444-A1 XANTHONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2019-06-20 — — US disclosed
US-20190185444-A1 XANTHONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2019-06-20 — — US disclosed
EP-3464278-A1 XANTHONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE H. Hoffnabb-La Roche Ag (CH) 2019-04-10 — — EP disclosed
WO-2017202798-A1 XANTHONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2017-11-30 — — WO disclosed
WO-2017202798-A1 XANTHONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2017-11-30 — — WO 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-10611748-B2 Xanthone derivatives for the treatment of hepatitis B virus disease XDH, XPOT, HAVCR2 KHK 1359/4885HTR6 2704/4885HTR2B 1902/4885
US-20190185444-A1 XANTHONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE XDH, HAVCR2, XPA KHK 1386/4885HTR6 3088/4885HTR2B 2072/4885

“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.

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