SCHEMBL16237261

SCHEMBL16237261

CCOC(=O)C=C1CC2COCC(C1)N2C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.40
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
GLA P06280 1/20 0.36
ESR2 Q92731 1/20 0.36
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
GPR119 Q8TDV5 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 1/20 0.33
HSD11B1 P28845 1/20 0.33
MAPK1 P28482 1/20 0.33
USP2 O75604 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
PREP P48147 1/20 0.32
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31

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
SCHEMBL13931014 0.88 CHRM1 (0.49) CHRM1CHRM2CHRM3ESR2GPR119
SCHEMBL4087723 0.88 CHRM1 (0.49) CHRM1CHRM2CHRM3ESR2GPR119
SCHEMBL2925345 0.86 CHRM1 (0.43) CHRM1CHRM2CHRM3GLAESR2
SCHEMBL16250198 0.82 CHRM2 (0.36) CHRM1CHRM2CHRM3GLAKCNK3
SCHEMBL30327944 0.82 ESR2 (0.41) CHRM1CHRM2CHRM3GLAESR2
SCHEMBL16249888 0.81 NR1H2 (0.39) GLAESR2GPR119SMN1; SMN2RECQL
SCHEMBL13282123 0.77 CHRM2 (0.49) CHRM1CHRM2CHRM3KCNK3KCNK9
SCHEMBL20403317 0.76 GLA (0.32) GLAESR2ATM
SCHEMBL21551087 0.75 NR1H2 (0.49) CHRM1ESR2KCNK3KCNK9GPR119
SCHEMBL25920437 0.75 NR1H2 (0.49) CHRM1ESR2KCNK3KCNK9GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2997032-B1 6-BRIDGED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2018-07-25 EP disclosed
US-9758530-B2 6-bridged heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2017-09-12 US disclosed
US-9758530-B2 6-bridged heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2017-09-12 US disclosed
US-9758530-B2 6-bridged heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2017-09-12 US disclosed
US-20160122363-A1 NOVEL 6-BRIDGED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-05-05 US disclosed
US-20160122363-A1 NOVEL 6-BRIDGED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-05-05 US disclosed
US-20160122363-A1 NOVEL 6-BRIDGED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-05-05 US disclosed
EP-2997032-A1 6-BRIDGED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2016-03-23 EP disclosed
US-9266904-B2 6-bridged heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-02-23 US disclosed
US-9266904-B2 6-bridged heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-02-23 US disclosed
WO-2014184328-A1 6-BRIDGED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2014-11-20 WO disclosed
WO-2014184328-A1 6-BRIDGED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2014-11-20 WO disclosed
US-20140343032-A1 NOVEL 6-BRIDGED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2014-11-20 US disclosed
US-20140343032-A1 NOVEL 6-BRIDGED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2014-11-20 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-20140343032-A1 NOVEL 6-BRIDGED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP2D6, TPMT CHRM1 1693/4885CHRM2 2529/4885CHRM3 3364/4885
US-20160122363-A1 NOVEL 6-BRIDGED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP2D6, TPMT CHRM1 1693/4885CHRM2 2529/4885CHRM3 3364/4885

“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.