SCHEMBL16249773

SCHEMBL16249773

CC(C)(C)OC(=O)N1C2COCC1C(C(=O)O)C2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PREP P48147 4/20 0.36
BTK Q06187 1/20 0.35
RECQL P46063 1/20 0.33
NR1H2 P55055 1/20 0.33
GPR119 Q8TDV5 3/20 0.33
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
HSD11B1 P28845 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
SCHEMBL12213468 0.84 CHRM2 (0.47) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL1409774 0.82 CHRM2 (0.50) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL1409111 0.82 CHRM2 (0.50) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL10299786 0.81 CHRM2 (0.45) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL16249789 0.81 CHRM2 (0.45) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL19713546 0.81 CHRM2 (0.51) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL23327166 0.81 CHRM2 (0.59) CHRM2CHRM1CHRM3PREPBTK
SCHEMBL5233794 0.81 CHRM2 (0.59) CHRM2CHRM1CHRM3PREPBTK
SCHEMBL5233802 0.81 CHRM2 (0.59) CHRM2CHRM1CHRM3PREPBTK
SCHEMBL16039763 0.81 CHRM2 (0.59) CHRM2CHRM1CHRM3PREPBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 CHRM2 2529/4885CHRM1 1693/4885CHRM3 3364/4885
US-20160122363-A1 NOVEL 6-BRIDGED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP2D6, TPMT CHRM2 2529/4885CHRM1 1693/4885CHRM3 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.