SCHEMBL15828464

SCHEMBL15828464

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OC#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.53
▸ NPC1 O15118 1/20 0.50
▸ LMNA P02545 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ EPHX2 P34913 1/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ UCHL1 P09936 1/20 0.44
▸ KLK7 P49862 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ USP30 Q70CQ3 1/20 0.43
▸ SCN4A P35499 1/20 0.43
▸ CTSK P43235 1/20 0.42

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
SCHEMBL19414808 0.85 HSD17B10 (0.61) HSD17B10NPC1LMNANPSR1SMN1; SMN2
SCHEMBL7286305 0.85 HSD17B10 (0.61) HSD17B10NPC1LMNANPSR1SMN1; SMN2
SCHEMBL895773 0.85 HSD17B10 (0.61) HSD17B10NPC1LMNANPSR1SMN1; SMN2
SCHEMBL23477366 0.83 HSD17B10 (0.59) HSD17B10NPC1LMNANPSR1SMN1; SMN2
SCHEMBL9544779 0.83 HSD17B10 (0.59) HSD17B10NPC1LMNANPSR1SMN1; SMN2
SCHEMBL6219879 0.83 HSD17B10 (0.59) HSD17B10NPC1LMNANPSR1SMN1; SMN2
SCHEMBL9727398 0.83 HSD17B10 (0.59) HSD17B10NPC1LMNANPSR1SMN1; SMN2
SCHEMBL28133679 0.83 HSD17B10 (0.62) HSD17B10NPC1LMNANPSR1SMN1; SMN2
SCHEMBL15957788 0.82 HSD17B10 (0.39) HSD17B10NPC1LMNANPSR1SMN1; SMN2
SCHEMBL23157177 0.82 HSD17B10 (0.50) HSD17B10NPC1LMNANPSR1SMN1; 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
US-9150592-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-10-06 — — US disclosed
US-9150592-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-10-06 — — US disclosed
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 — — US disclosed
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 — — 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-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS NR5A2, NR5A1, GPER1 HSD17B10 477/4885NPC1 706/4885LMNA 2946/4885

“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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