SCHEMBL21580816

SCHEMBL21580816

CCOC(=O)c1cc(CN2CCCC2)c2ccc(OS(=O)(=O)C(F)(F)F)cn2c1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 6/20 0.39
▸ PDE3A Q14432 6/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 4/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ DRD5 P21918 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ HSD17B10 Q99714 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
SCHEMBL28503558 0.89 KCNH2 (0.47) KCNH2DRD2DRD1DRD4DRD5
SCHEMBL23720026 0.81 GAA (0.45) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL23700639 0.80 KDM4E (0.42) ADORA1KDM4EALDH1A1HPGDGLA
SCHEMBL21580842 0.76 ADORA1 (0.43) ADORA1KDM4EALDH1A1HPGDGLA
SCHEMBL28507283 0.76 DRD2 (0.39) KDM4EDRD2DRD1DRD4DRD5
SCHEMBL21580812 0.72 ALDH1A1 (0.46) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL8613925 0.68 TSHR (0.47) ADORA1KDM4EALDH1A1HPGDGAA
SCHEMBL365010 0.68 KDM4E (0.44) ADORA1KDM4EALDH1A1HPGDGAA
SCHEMBL12788120 0.67 STS (0.47) ADORA1KDM4EALDH1A1HPGDTP53
SCHEMBL13316541 0.67 LMNA (0.52) PDE3BPDE3AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3802549-B1 NOVEL OXOQUINOLIZINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN LA ROCHE (CH) 2023-03-01 — — EP disclosed
US-20210238197-A1 NOVEL OXOQUINOLIZINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2021-08-05 — — US disclosed
US-20210238197-A1 NOVEL OXOQUINOLIZINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2021-08-05 — — US disclosed
EP-3802549-A1 NOVEL OXOQUINOLIZINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2021-04-14 — — EP disclosed
CN-112204037-A Novel oxoquinolizine compounds for the treatment and prevention of bacterial infections 豪夫迈·罗氏有限公司 2021-01-08 — — CN disclosed
WO-2019228940-A1 NOVEL OXOQUINOLIZINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2019-12-05 — — 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 (1 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-20210238197-A1 NOVEL OXOQUINOLIZINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION O60361, ARG1, QDPR PDE3B 1519/4885PDE3A 1671/4885ADORA1 1268/4885

“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.

Send feedback