SCHEMBL17664708

SCHEMBL17664708

C[C@@H]1[C@@H](C)CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
EPHX1 P07099 1/20 0.42
UCHL1 P09936 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL12716281 1.00 HSD17B10 (0.51) HSD17B10SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL14664469 0.95 HSD17B10 (0.47) HSD17B10SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL20054305 0.89 CHRM2 (0.47) HSD17B10SMN1; SMN2NPC1HPGDEPHX1
SCHEMBL21408129 0.89 CHRM2 (0.47) HSD17B10SMN1; SMN2NPC1HPGDEPHX1
SCHEMBL13415865 0.89 CHRM2 (0.47) HSD17B10SMN1; SMN2NPC1HPGDEPHX1
SCHEMBL17343011 0.89 CHRM2 (0.47) HSD17B10SMN1; SMN2NPC1HPGDEPHX1
SCHEMBL2913442 0.86 HSD17B10 (0.49) HSD17B10SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL2917078 0.86 HSD17B10 (0.49) HSD17B10SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL2917080 0.86 HSD17B10 (0.49) HSD17B10SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL2913444 0.86 HSD17B10 (0.49) HSD17B10SMN1; SMN2NPC1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170210765-A1 PROCESS FOR PREPARING ALPHA-SILYLAMINE COMPOUNDS FROM ALPHA-SILYLMETHYL AZIDE COMPOUNDS POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-07-27 US disclosed
WO-2016053017-A1 PROCESS FOR PREPARING ALPHA-SILYLAMINE COMPOUNDS FROM ALPHA-SILYLMETHYL AZIDE COMPOUNDS 포항공과대학교 산학협력단 2016-04-07 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-20170210765-A1 PROCESS FOR PREPARING ALPHA-SILYLAMINE COMPOUNDS FROM ALPHA-SILYLMETHYL AZIDE COMPOUNDS ITGAL, MANBA, ITGA1 HSD17B10 4125/4885SMN1; SMN2 253/4885NPC1 783/4885

“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.