SCHEMBL5579709

SCHEMBL5579709

CC(C)(C)OC(=O)N1CC[C@H](O)C1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.40
PREP P48147 2/20 0.39
USP2 O75604 1/20 0.39
GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL18544098 1.00 HSD17B10 (0.47) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL694280 1.00 HSD17B10 (0.47) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL2024759 1.00 HSD17B10 (0.47) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL694279 1.00 HSD17B10 (0.47) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL375241 1.00 HSD17B10 (0.47) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL694281 1.00 HSD17B10 (0.47) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL201852 1.00 HSD17B10 (0.47) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL199927 1.00 HSD17B10 (0.47) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL4002727 0.92 HSD17B10 (0.42) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL1312359 0.92 HSD17B10 (0.53) HSD17B10CHRM2CHRM1CHRM3SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076492-A1 PCSK9 ANTAGONIST COMPOUNDS Merck Sharp & Dohme LLC (US) 2022-10-26 EP disclosed
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS SCHRIMPF MICHAEL R (US) 2012-08-16 US disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 WO disclosed
EP-1852432-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 EP 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-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 HSD17B10 3046/4885CHRM2 122/4885CHRM1 121/4885

“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.