SCHEMBL21858343

SCHEMBL21858343

CCOC(=O)COCCOC1CC2CCC(C1)N2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RIN1 Q13671 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ EPHX2 P34913 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ CHRM2 P08172 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MGAM O43451 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SI P14410 1/20 0.32
▸ MGAM2 Q2M2H8 1/20 0.32

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
Hydrochloric Acid SCHEMBL31050761 0.85 KMT2A (0.38) ABL1MAPTHTTRIN1KMT2A
SCHEMBL27358588 0.81 MGAM (0.34) KMT2AEPHX2HRH1KDM4EMGAM
SCHEMBL27359045 0.79 KMT2A (0.36) MAPTKMT2AEPHX2HRH1MGAM
SCHEMBL27359008 0.79 GAA (0.35) KMT2AEPHX2HRH1KDM4EMGAM
SCHEMBL23249976 0.78 EPHX2 (0.36) MAPTKMT2AEPHX2HRH1MGAM
Hydrochloric Acid SCHEMBL23249980 0.77 EPHX2 (0.36) MAPTKMT2AEPHX2HRH1MGAM
SCHEMBL27359499 0.77 HRH1 (0.40) KMT2AEPHX2CHRM3HRH1KDM4E
SCHEMBL27359494 0.77 KMT2A (0.36) KMT2AHRH1MGAMGAASI
SCHEMBL11163358 0.74 GAA (0.55) KMT2AMGAMGAASIMGAM2
SCHEMBL20233802 0.74 KMT2A (0.36) KMT2AEPHX2HRH1KDM4EMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11993591-B2 Chromen-4-one derivatives for the treatment and prophylaxis of hepatitis B virus disease HOFFMANN-LA ROCHE INC. (US) 2024-05-28 — — US disclosed
US-20220402897-A1 CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2022-12-22 — — US disclosed
US-20220402897-A1 CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2022-12-22 — — US disclosed
WO-2020079106-A1 CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-04-23 — — WO disclosed
WO-2020079106-A1 CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-04-23 — — 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-11993591-B2 Chromen-4-one derivatives for the treatment and prophylaxis of hepatitis B virus disease HAVCR2, CYP7A1, CYP26B1 DRD2 2811/4885DRD3 2177/4885ABL1 890/4885
US-20220402897-A1 CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HAVCR2, CYP7A1, CYP26B1 DRD2 2811/4885DRD3 2177/4885ABL1 890/4885

“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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