SCHEMBL15828463

SCHEMBL15828463

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

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
ALDH1A1 P00352 2/20 0.61
MAPT P10636 1/20 0.61
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
UCHL1 P09936 4/20 0.48
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CTSK P43235 1/20 0.44
USP30 Q70CQ3 2/20 0.44
SCN4A P35499 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
SCHEMBL18039833 1.00 MEN1 (0.61) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL17822384 0.96 ALDH1A1 (0.56) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL2737888 0.96 ALDH1A1 (0.56) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL2737886 0.96 ALDH1A1 (0.56) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL28339053 0.92 ALDH1A1 (0.56) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL2737896 0.83 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL2737899 0.83 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL10031609 0.82 HSD17B10 (0.57) MEN1KMT2AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL13871981 0.82 HSD17B10 (0.57) MEN1KMT2AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL903389 0.82 HSD17B10 (0.57) MEN1KMT2AALDH1A1HSD17B10SMN1; 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 5 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
WO-2014094357-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 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 (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 MEN1 619/4885KMT2A 1760/4885ALDH1A1 801/4885

“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.