SCHEMBL17717511

SCHEMBL17717511

CC1COCC(C=O)N1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ USP2 O75604 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RECQL P46063 1/20 0.35
▸ NR1H2 P55055 1/20 0.34
▸ PREP P48147 4/20 0.33
▸ KCNK3 O14649 1/20 0.33
▸ KCNK9 Q9NPC2 1/20 0.33
▸ CTSK P43235 1/20 0.32
▸ ABCB1 P08183 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL16908277 0.85 CHRM2 (0.47) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL71244 0.85 CHRM2 (0.47) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL1885718 0.85 CHRM2 (0.47) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL71243 0.85 CHRM2 (0.47) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL15508352 0.85 CHRM2 (0.47) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL15508459 0.85 CHRM2 (0.47) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL19915056 0.80 CHRM2 (0.46) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL622600 0.80 CHRM2 (0.46) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL220833 0.80 CHRM2 (0.46) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL29102381 0.80 CHRM2 (0.46) CHRM2CHRM1CHRM3USP2SMN1; SMN2

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 2 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

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-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.

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