SCHEMBL6468015

SCHEMBL6468015

CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.39
HDAC8 Q9BY41 1/20 0.36
HSD17B10 Q99714 1/20 0.35
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
CNR1 P21554 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL1347670 1.00 CNR2 (0.39) CNR2HDAC8HSD17B10GRIN2BGRIN2C
SCHEMBL15130409 1.00 CNR2 (0.39) CNR2HDAC8HSD17B10GRIN2BGRIN2C
SCHEMBL6466584 0.88 HDAC8 (0.37) CNR2HDAC8HSD17B10GRIN2BGRIN2C
SCHEMBL30977317 0.88 HDAC8 (0.37) CNR2HDAC8HSD17B10GRIN2BGRIN2C
SCHEMBL19389888 0.86 HDAC8 (0.37) HDAC8HSD17B10CHRM2CHRM1CHRM3
SCHEMBL1848946 0.86 HSD17B10 (0.41) HDAC8HSD17B10CHRM2CHRM1CHRM3
SCHEMBL13059379 0.86 HDAC8 (0.37) HDAC8HSD17B10CHRM2CHRM1CHRM3
SCHEMBL19484832 0.86 HDAC8 (0.37) HDAC8HSD17B10CHRM2CHRM1CHRM3
SCHEMBL193268 0.86 HSD17B10 (0.41) HDAC8HSD17B10CHRM2CHRM1CHRM3
SCHEMBL15116535 0.86 HDAC8 (0.37) HDAC8HSD17B10CHRM2CHRM1CHRM3

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-10112956-B2 Heterocyclic compounds having cholesterol 24-hydroxylase activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-30 US disclosed
EP-2933247-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-08-29 EP disclosed
US-20170197983-A1 HETEROCYCLIC COMPOUNDS HAVING CHOLESTEROL 24-HYDROXYLASE ACTIVITY TAKEDA PHARMACEUTICALS CO (JP) 2017-07-13 US disclosed
US-9643957-B2 Heterocyclic compounds having cholesterol 24-hydroxylase activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-09 US disclosed
US-20150315209-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-05 US disclosed
EP-2933247-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-10-21 EP disclosed
WO-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 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 (3 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-10112956-B2 Heterocyclic compounds having cholesterol 24-hydroxylase activity CYP46A1, CYP27A1, NCEH1 CNR2 858/4885HDAC8 355/4885HSD17B10 26/4885
US-20170197983-A1 HETEROCYCLIC COMPOUNDS HAVING CHOLESTEROL 24-HYDROXYLASE ACTIVITY CYP46A1, CYP27A1, NCEH1 CNR2 858/4885HDAC8 355/4885HSD17B10 26/4885
US-20150315209-A1 HETEROCYCLIC COMPOUND HCN4, KCNH1, SCN4A CNR2 320/4885HDAC8 108/4885HSD17B10 390/4885

“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.