SCHEMBL1271995

SCHEMBL1271995

CC(C)(C)OC(=O)N1C[C@H]2CCCN2C[C@H]1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HPGD P15428 1/20 0.36
PREP P48147 1/20 0.36
UCHL1 P09936 1/20 0.35
SCN4A P35499 1/20 0.35
PARP1 P09874 1/20 0.35

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
SCHEMBL1272381 1.00 HSD17B10 (0.42) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL1273344 0.90 HSD17B10 (0.41) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL1273232 0.90 HSD17B10 (0.41) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL1272124 0.88 HSD17B10 (0.43) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL14343539 0.88 HSD17B10 (0.49) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL30700635 0.85 NR1H2 (0.42) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL23458155 0.83 HSD17B10 (0.41) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL1272276 0.81 HSD17B10 (0.39) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL25625816 0.78 MC4R (0.40) HSD17B10SMN1; SMN2NPC1ALDH1A1MEN1
SCHEMBL27875038 0.78 MEN1 (0.40) HSD17B10ALDH1A1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034469-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-10 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-20110034469-A1 Heterocyclic Compound BIRC5, XIAP, BIRC2 HSD17B10 3459/4885SMN1; SMN2 672/4885NPC1 1601/4885

“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.